成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

sales@ambeed.com

Structure Search

List Search MOL Search Structure Search

Hello, Sign in

Home Cart 0 Sign in

[ CAS No. 50594-82-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Chemical Structure| 50594-82-6

Chemical Structure| 50594-82-6

Structure of 50594-82-6 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 50594-82-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 50594-82-6 ]

SDS Specification

Alternatived Products of [ 50594-82-6 ]

Product Citations

Product Details of [ 50594-82-6 ]

CAS No. :	50594-82-6	MDL No. :	MFCD00035985
Formula :	C₇H₂Cl₃F₃	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	FBKFIAIRSQOXJR-UHFFFAOYSA-N
M.W :	249.45	Pubchem ID :	2733399
Synonyms :

Calculated chemistry of [ 50594-82-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	46.47
TPSA :	0.0 ?2

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.41
Log Po/w (XLOGP3) :	4.69
Log Po/w (WLOGP) :	5.82
Log Po/w (MLOGP) :	5.07
Log Po/w (SILICOS-IT) :	4.8
Consensus Log Po/w :	4.56

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.62
Solubility :	0.00603 mg/ml ; 0.0000242 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.42
Solubility :	0.00953 mg/ml ; 0.0000382 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.14
Solubility :	0.00182 mg/ml ; 0.00000729 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.61

Safety of [ 50594-82-6 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 50594-82-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 50594-82-6 ]
Downstream synthetic route of [ 50594-82-6 ]

[ 50594-82-6 ] Synthesis Path-Upstream 1~3

1
[ 98-08-8 ]
[ 328-84-7 ]
[ 320-50-3 ]
[ 50594-82-6 ]
[ 54773-20-5 ]
[ 54773-19-2 ]
[ 61841-47-2 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, p. 734 - 740[2] Zhurnal Organicheskoi Khimii, 1985, vol. 21, # 4, p. 809 - 817

2
[ 98-15-7 ]
[ 328-84-7 ]
[ 320-50-3 ]
[ 56148-83-5 ]
[ 50594-82-6 ]
[ 54773-19-2 ]
[ 61841-46-1 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, p. 734 - 740[2] Zhurnal Organicheskoi Khimii, 1985, vol. 21, # 4, p. 809 - 817

3
[ 50594-82-6 ]
[ 80172-04-9 ]

Yield	Reaction Conditions	Operation in experiment
75%	With potassium fluoride; nitrobenzene In sulfolane at 200 - 220℃; for 17 h;	Example 3; Preparation method of 3,4,5-trifluorobenzotrifluoride; 860 g of dry sulpholane and 524 g of dry KF were initially charged with exclusion of moisture in an autoclave, and 500 g of 3,4,5-trichlorobenzotrifluoride, 5 g of nitrobenzene and 25 g of CNC catalyst were added. The vessel was sealed and the mixture subsequently heated to 200° C. for 5 h and then to 220° C. for a further 12 h. During the reaction, a maximum total pressure of 9 bar arose. The mixture was then cooled to 20° C. and decompressed into a cooled receiver. The product was distilled off at standard pressure. After redistillation of the crude product, 300 g of 3,4,5-trifluorobenzotrifluoride (75percent of theory) were obtained as a colourless liquid.

Reference： [1] Patent: US2006/9643, 2006, A1, . Location in patent: Page/Page column 5

[ 50594-82-6 ] Synthesis Path-Downstream 1~16

1
[ 50594-82-6 ]
di-potassium salt of resorcinol [ No CAS ]
[ 50594-83-7 ]

Yield	Reaction Conditions	Operation in experiment
49%	In sulfolane; hexane;	(d) 1,3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at ~120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 l). Hexane (200 ml.) is added, and the solution washed with water (3*500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene (5.3 g. 49%) m.p. 121-122 C.
49%	In sulfolane; hexane;	(d) 1.3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at --120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 l). Hexane (200 ml.) is added, and the solution washed with water (3*500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene (5.3 g. 49%) m.p. 121-122 C.
49%	In sulfolane; hexane;	(d) 1,3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluoro-toluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at ~120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 1). Hexane (200 ml.) is added, and the solution washed with water (3*500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene (5.3 g. 49%) m.p. 121-122 C.

49%	In sulfolane; hexane;	d. 1,3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at ~120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 L). Hexane (200 ml.) is added, and the solution washed with water (3*500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene (5.3 g. 49%) m.p. 121-122 C.
49%	In sulfolane; hexane;	d. 1,3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at ~120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 l). Hexane (200 ml.) is added, and the solution washed with water (3 * 500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyoxy)benzene (5.3 g. 49%) m.p. 121-122 C.
49%	In sulfolane; hexane;	d. 1,3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at ~120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 L). Hexane (200 ml.) is added, and the solution washed with water (3 * 500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene (5.3 g. 49%) m.p. 121-122 C.
49%	In sulfolane; hexane;	d. 1,3-Bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene A mixture of 3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene (10 g. 0.04 mol), and the dipotassium salt of 1,3-dihydroxybenzene (4 g. 0.021 mol) in 150 ml. sulfolane is stirred and heated 70 minutes at ~120 C. The cooled reaction mixture is diluted with benzene (350 ml.) and washed once with water (1 1). Hexane (200 ml.) is added, and the solution washed with water (3 * 500 ml.) dried, filtered through activated silica gel (~25 g.), and the solvents removed. The residual oil is crystallized from a mixture of pentane and benzene to give 1,3-bis(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)benzene (5.3 g. 49%) m.p. 121-122 C.

Reference： [1]Patent: US4330324,1982,A
[2]Patent: US4419123,1983,A
[3]Patent: US4419122,1983,A
[4]Patent: US31455,1983,E1
[5]Patent: US4046798,1977,A
[6]Patent: US4063929,1977,A
[7]Patent: US4093446,1978,A
[8]Patent: CH567359,1975,
Patent: DE2311638,
Chem.Abstr.,1974,vol. 80

2
[ 50594-82-6 ]
[ 328-84-7 ]

Reference： [1]Journal of general chemistry of the USSR,1977,vol. 47,p. 713 - 716
Zhurnal Obshchei Khimii,1977,vol. 47,p. 782 - 785

3
[ 50594-82-6 ]
[ 63366-42-7 ]

Reference： [1]Journal of general chemistry of the USSR,1977,vol. 47,p. 713 - 716
Zhurnal Obshchei Khimii,1977,vol. 47,p. 782 - 785

4
[ 50594-82-6 ]
[ 63366-45-0 ]

Reference： [1]Journal of general chemistry of the USSR,1977,vol. 47,p. 713 - 716
Zhurnal Obshchei Khimii,1977,vol. 47,p. 782 - 785

5
[ 50594-82-6 ]
[ 97985-54-1 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1984,vol. 20,p. 1993 - 1996
Zhurnal Organicheskoi Khimii,1984,vol. 20,p. 2187 - 2191

6
[ 50594-82-6 ]
[ 77227-99-7 ]
2-Chloro-1,3-difluoro-5-trifluoromethyl-benzene [ No CAS ]
[ 104554-79-2 ]
[ 77227-81-7 ]

Reference： [1]Journal of Fluorine Chemistry,1985,vol. 30,p. 251 - 258

7
[ 50594-82-6 ]
[ 50594-84-8 ]

Reference： [1]Patent: CH567359,1975,
Patent: DE2311638,
Chem.Abstr.,1974,vol. 80

9
[ 66682-07-3 ]
[ 2136-87-0 ]
[ 13014-24-9 ]
[ 27020-90-2 ]
[ 7647-01-0 ]
[ 328-84-7 ]
[ 56148-83-5 ]
[ 50594-82-6 ]
[ 97985-54-1 ]

Yield	Reaction Conditions	Operation in experiment
71.5%; 21.4%	With hydrogen fluoride; at 5 - 120℃; under 15001.5 Torr; for 2h;Product distribution / selectivity;	The mixture of benzotrichlorides from Example 1a is passed directly to the fluorination reactor, which consists of an AISI 316 steel autoclave equipped with a stirrer and connected via a valve for pressure control to the gaseous hydrogen chloride absorption system. Once the mixture of benzotrichlorides has been charged into the autoclave, it is cooled to 5 C and 25.5 mmol (510 g) of anhydrous hydrofluoric acid are added. While the mixture is subjected to vigorous stirring in such a manner as to permit the two phases to react, it is heated until it reaches a final temperature of 120 C which is maintained for 2 hours. The pressure within the autoclave is maintained at 20 bar by means of a control valve and the stream of gaseous HCl leaving the autoclave (15 mol, 547.5 g) is absorbed in water to produce 32% HCl for commercial use. When the production of gaseous HCl has ceased and the pressure remains constant, the reaction is complete. The temperature is lowered, stirring is stopped and the phases are separated in appropriate apparatus. The resultant organic phase (5 mol, 1133.5 g) is vacuum distilled to obtain 3.58 mol (768 g) of 3,4-dichlorobenzotrifluoride of a purity of 99.5% (yield 71.5%) and 1.07 mol (268 g) of 3,4,5-trichlorobenzotrifluoride of a purity of 99% (yield 21.4%). The remaining 98 g consist of 2,4,5-trichlorobenzotrifluoride and 2,3,4,5-tetrachlorobenzotrifluoride and remain as heavy bottoms products

Reference： [1]Patent: EP1528052,2005,A1 .Location in patent: Page/Page column 6

10
[ 56148-83-5 ]
[ 50594-82-6 ]
[ 24279-39-8 ]

Yield	Reaction Conditions	Operation in experiment
79.2%	With 1-methyl-pyrrolidin-2-one; ammonia; at 0 - 190℃; for 8h;	0.5 mol (124.7 g) of an 80:20 isomeric mixture consisting of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> and 2,4,5-trichlorobenzotrifluoride and 1.8 mol (178 g) of N-methylpyrrolidone are introduced into an autoclave. The autoclave is cooled to 0C and charged with 4 mol of ammonia (68 g) and heated with vigorous stirring to 190C for 8 hours. After cooling and removal of excess ammonia, the reaction mixture is filtered off from the ammonium chloride produced and the liquid phase is vacuum distilled. The distillation yields 88.3 g of an azeotropic mixture containing 83% 2,6-dichloro-4-trifluoromethylaniline (2,6-DC-pTFMA) and 17% N-methylpyrrolidone. The 99% pure product is precipitated out from the azeotropic mixture by addition of water and, after filtration and drying, 0.317 mol (73 g) of 2,6-dichloro-4-trifluoromethylaniline (yield 79.2% relative to 3,4,5-TCBTF) are obtained. Examples 2 and 3 below are given in order to illustrate the advantage of keeping the conversion of 3,4-DCBTC into 3,4,5-TCBTC at a low level in the chlorination stage, in that if conversion of the 3,4-DCBTC is boosted, the result is not a greater yield of 3,4,5-TCBTC, but instead the formation of isomeric and polychlorinated products which require costly disposal

Reference： [1]Patent: EP1528052,2005,A1 .Location in patent: Page/Page column 7

11
[ 50594-82-6 ]
[ 24279-39-8 ]

Yield	Reaction Conditions	Operation in experiment
79.2%	With 1-methyl-pyrrolidin-2-one; ammonia; at 0 - 190℃; for 8h;	0.5 mol (124.7 g) of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> and 1.8 mol (178 g) of N-methylpyrrolidone are mixed in an autoclave. The autoclave is cooled to 0 C and charged with 4 mol of ammonia (68 g) and heated with vigorous stirring to 190 C for 8 hours. After cooling and removal of excess ammonia, the reaction mixture is filtered off from the ammonium chloride produced and the liquid phase is vacuum distilled. The distillation yields 110.4 g of an azeotropic mixture containing 83% 2,6-dichloro-4-trifluoromethylaniline and 17% N-methylpyrrolidone. The 99% pure product is precipitated out from the azeotropic mixture by addition of water and, after filtration and drying, 0.396 mol (91 g) of 2,6-dichloro-4-trifluoromethylaniline (yield 79.2%) are obtained.
75.69%	With ammonia; In water; at 165℃; under 86258.6 Torr;Product distribution / selectivity;	Example 10-Example 19The unit and operation procedures are same to that of example 7, with results shown in Table 2.

Reference： [1]Patent: EP1528052,2005,A1 .Location in patent: Page/Page column 6-7
[2]Patent: US2009/240083,2009,A1 .Location in patent: Page/Page column 4

12
[ 50594-82-6 ]
[ 80172-04-9 ]

Yield	Reaction Conditions	Operation in experiment
75%	With potassium fluoride; nitrobenzene;1,3-dimethyl-2-(N',N',N",N"-tetramethylguanidino)-4,5-dihydro-3H-imidazolium chloride; In sulfolane; at 200 - 220℃; under 6750.68 Torr; for 17h;	Example 3; Preparation method of 3,4,5-trifluorobenzotrifluoride; 860 g of dry sulpholane and 524 g of dry KF were initially charged with exclusion of moisture in an autoclave, and 500 g of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong>, 5 g of nitrobenzene and 25 g of CNC catalyst were added. The vessel was sealed and the mixture subsequently heated to 200 C. for 5 h and then to 220 C. for a further 12 h. During the reaction, a maximum total pressure of 9 bar arose. The mixture was then cooled to 20 C. and decompressed into a cooled receiver. The product was distilled off at standard pressure. After redistillation of the crude product, 300 g of 3,4,5-trifluorobenzotrifluoride (75% of theory) were obtained as a colourless liquid.

Reference： [1]Patent: US2006/9643,2006,A1 .Location in patent: Page/Page column 5

13
[ 50594-82-6 ]
[ 86398-94-9 ]

Yield	Reaction Conditions	Operation in experiment
<= 3.7%	With hydrazine; In tetrahydrofuran; at 50℃; for 24h;Product distribution / selectivity;	Comparative Example 1 : Preparation of 2,6-dichloro-4-(trifluoromethyl) phenylhydrazine of the formula 1-1 from 3,4,5-trichloro- benzotrifluoride in tetrahydrofurane; 10 g (40 mmole) of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> (99.7% purity) were dissolved in 30 g (417 mmole) of tetrahydrofurane. To this solution were added 8 g (160 mmole) of <n="10"/>hydrazine hydrate (100%). The resulting mixture was stirred at 500C for 24 hours. Thereafter, an organic phase of 40.7 g was separated. The solution obtained by this separation contained the product 2,6-dichloro-4-(trifluoromethyl)phenylhydrazine in an amount of 0.9 wt-% and the starting material <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> in an amount of 27.1 wt-%, meaning that a product yield not higher than 3.7 % was obtained.
<= 3.6%	With hydrazine; In toluene; at 110℃; for 24h;Product distribution / selectivity;	Comparative Example 3: Preparation of 2,6-dichloro-4-(trifluoromethyl)phenyl- hydrazine of the formula 1-1 from 3,4,5-trichloro- benzotrifluoride in toluene; 10 g (40 mmole) of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> (99.7% purity) were dissolved in 30 g (326 mmole) of toluene. To this solution were added 8 g (160 mmole) of hydrazine hydrate (100%). The resulting mixture was stirred at reflux (approx. 1100C) for 24 hours. Thereafter, an organic phase of 39.4 g was separated. The solution obtained by this separation contained the product 2,6-dichloro-4-(trifluoromethyl)phenylhydrazine in an amount of 0.9 wt-% and the starting material <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> in an amount of 26.3 wt-%, meaning that a product yield not higher than 3.6 % was obtained.
<= 2.5%	With hydrazine; In pyridine; at 25℃; for 24h;Product distribution / selectivity;	Comparative Example 2: Preparation of 2,6-dichloro-4-(trifluoromethyl)phenyl- hydrazine of the formula 1-1 from 3,4,5-trichloro- benzotrifluoride in pyridine (amount of hydrazine hydrate: 4 equivalents, reaction time: 24 hours, reaction temperature: 25C); 10 g (40 mmole) of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> (99.7% purity) were dissolved in 30 g (380 mmole) of pyridine. To this solution were added 8 g (160 mmole) of hydrazine hydrate (100%). The resulting mixture was stirred at 25C for 24 hours. Thereafter, an organic phase of 41.6 g was separated (lower phase). The solution obtained by this separation contained the product 2,6-dichloro-4-(trifluoromethyl) phenylhydrazine in an amount of 0.5 wt-% and the starting material <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> in an amount of 26.4 wt-%, meaning that a product yield not higher than 2.5 % was obtained.

	With hydrazine hydrate; In pyridine; water;	6.2 g (0.025 mol) of 3,4,5-trichloro-trifluoromethylbenzene and 6.25 g (0.125 mol) of hydrazine hydrate are heated under reflux for 48 hours at 115-120 C. in 12 ml of pyridine. For working up, the solvent is distilled off, and the residue is taken up in water and extracted three times with about 30 ml of dichloromethane each time. The combined organic phases are dried over magnesium sulphate and evaporated in vacuo, and the residue is then distilled. 5.1 g (83% of theory) of 2,6-dichloro-4-trifluoromethylphenylhydrazine of melting point 56 to 57 C. are obtained. STR954
	With hydrazine hydrate; In pyridine; dichloromethane; water;	6.2 g (0.025 mole) of 3,4,5-trichloro-trifluoromethylbenzene and 6.25 g (0.125 mole) of hydrazine hydrate are heated under reflux in 12 ml of pyridine at 115-120 C. for 48 hours. For working up, the solvent is distilled off, the residue is taken up in water and the mixture is extracted three times with in each case about 30 ml of methylene chloride. The combined organic phases are dried over magnesium sulphate, concentrated in vacuo and then distilled. 5.1 g (83% of theory) of 2,6-dichloro-4-trifluoromethylphenylhydrazine of melting point 56 to 57 C. are obtained. The following 1-aryl-5-hydrazino-pyrazoles of the formula (I) are obtained in a corresponding manner and in accordance with the general statements on the preparation: STR59
	With hydrazine hydrate; In pyridine; water;	6.2 g (0.025 mol) of 3,4,5-trichloro-trifluoromethylbenzene and 6.25 g (0.125 mol) of hydrazine hydrate are refluxed at 115-120 C. for 48 hours in 12 ml of pyridine. For work-up, the solvent is removed by distillation, and the residue is taken up in water and extracted three times with about 30 ml of dichloromethane in each case. The combined organic phases are dried over magnesium sulphate, concentrated in vacuo and subsequently distilled. 5.1 g (83% of theory) of 2,6-dichloro-4-trifluoromethylphenylhydrazine of melting point 56 to 57 C. are obtained.

Reference： [1]Patent: WO2008/113661,2008,A2 .Location in patent: Page/Page column 8-9
[2]Patent: WO2008/113661,2008,A2 .Location in patent: Page/Page column 10
[3]Patent: WO2008/113661,2008,A2 .Location in patent: Page/Page column 9
[4]Patent: US4909827,1990,A
[5]Patent: US4685956,1987,A
[6]Patent: US4770692,1988,A

14
[ 1310-58-3 ]
[ 582-17-2 ]
[ 50594-82-6 ]
[ 67-68-5 ]
[ 7757-82-6 ]
[ 122452-28-2 ]

Yield	Reaction Conditions	Operation in experiment
	In Petroleum ether;	EXAMPLE (II-1) STR36 12.5 g (0.05 mol) of 3,4,5-trichloro-benzotrifluoride are added slowly to a stirred mixture, heated to 60 C., of 8.0 g (0.05 mol) of 2,7-dihydroxy-naphthalene, 4.2 g (0.075 mol) of potassium hydroxide powder and 100 ml of dimethyl sulphoxide, and stirring of the reaction mixture is continued for approximately 3 hours at 60 C. After the mixture has cooled to approximately 20 C., it is diluted with water and methylene chloride and filtered. The organic phase is separated from the filtrate, washed with water, dried using sodium sulphate and filtered. The solvent is distilled off from the filtrate under a waterpump vacuum, the residue is stirred with petroleum ether, and the product which is obtained in this process in the form of crystals is isolated by filtering off with suction. 4.9 g (26% of theory) of 7-(2,6-dichloro-4-trifluoromethyl-phenoxy)-2-naphthol of melting point 98 C. are obtained.

Reference： [1]Patent: US5108489,1992,A

15
[ 1310-58-3 ]
[ 135-76-2 ]
[ 50594-82-6 ]
[ 67-68-5 ]
6-(2,6-dichloro-4-trifluoromethyl-phenoxy)-naphthalene-2-sulphonic acid sodium salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Step 1 (VII-1): STR29 124 g (0.5 mol) of <strong>[50594-82-6]3,4,5-trichlorobenzotrifluoride</strong> are added to a stirred mixture of 135 g (0.5 mol) of the sodium salt of 6-hydroxy-naphthalene-2-sulphonic acid, 30 g (0.54 mol) of potassium hydroxide powder and 1,000 ml of dimethyl sulphoxide, and the reaction mixture is stirred first for 3 hours at 60 C. and then for 15 hours at 20 C. After the mixture has been concentrated, the residue is digested with water, and the product which has been obtained in crystalline form is isolated by filtration with suction. This gives 209.5 g (91% of theory) of the sodium salt of 6-(2,6-dichloro-4-trifluoromethyl-phenoxy)-naphthalene-2-sulphonic acid, which melts above 310 C. with decomposition.

Reference： [1]Patent: US5129944,1992,A

16
[ 581-43-1 ]
[ 50594-82-6 ]
[ 67-68-5 ]
6-(2,6-dichloro-4-trifluoromethyl-phenoxy)-2-naphthol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide;	STR66 46.8 g (0.19 mole) of 3,4,5-trichloro-benzotrifluoride are added slowly and with stirring to a mixture which consists of 56.8 g (0.36 mole) of 2,6-dihydroxynaphthalene, 14.3 g (0.36 mole) of pulverulent sodium hydroxide and 170 ml of dimethyl sulphoxide and which has been heated to 120 C., and the reaction mixture is then stirred at 120 C. for approximately 3 hours and further at 20 C. for approximately 15 hours. The reaction mixture is then diluted with water to twice the volume, and acidified with 1N hydrochloric acid. The precipitate obtained is separated off and extracted with toluene, and the organic phase is separated off, washed with water, dried over sodium sulphate and filtered. The solvent is distilled off the filtrate in a waterpump vacuum. The residue is recrystallized from ethanol. 52 g (74% of theory) of 6-(2,6-dichloro-4-trifluoromethyl-phenoxy)-2-naphthol of melting point 158 C. are obtained. The starting substances of the formula (II) listed in Table 2 below can be prepared in analogy with Example (II-1).

Reference： [1]Patent: US5079384,1992,A

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

? Alkyl Halide Occurrence ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Preparation of Alkylbenzene ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Vilsmeier-Haack Reaction

Historical Records

Related Functional Groups of
[ 50594-82-6 ]

Fluorinated Building Blocks

[ 54773-20-5 ]

1,3-Dichloro-5-(trifluoromethyl)benzene

Similarity: 0.91

[ 328-72-3 ]

3,5-Bis(trifluoromethyl)chlorobenzene

Similarity: 0.89

[ 54773-19-2 ]

1,2-Dichloro-3-(trifluoromethyl)benzene

Similarity: 0.85

[ 320-50-3 ]

1,4-Dichloro-2-(trifluoromethyl)benzene

Similarity: 0.85

[ 43141-66-8 ]

1-Chloro-4-(difluoromethyl)benzene

Similarity: 0.84

Aryls

[ 54773-20-5 ]

1,3-Dichloro-5-(trifluoromethyl)benzene

Similarity: 0.91

[ 328-72-3 ]

3,5-Bis(trifluoromethyl)chlorobenzene

Similarity: 0.89

[ 54773-19-2 ]

1,2-Dichloro-3-(trifluoromethyl)benzene

Similarity: 0.85

[ 320-50-3 ]

1,4-Dichloro-2-(trifluoromethyl)benzene

Similarity: 0.85

[ 43141-66-8 ]

1-Chloro-4-(difluoromethyl)benzene

Similarity: 0.84

Chlorides

[ 54773-20-5 ]

1,3-Dichloro-5-(trifluoromethyl)benzene

Similarity: 0.91

[ 328-72-3 ]

3,5-Bis(trifluoromethyl)chlorobenzene

Similarity: 0.89

[ 54773-19-2 ]

1,2-Dichloro-3-(trifluoromethyl)benzene

Similarity: 0.85

[ 320-50-3 ]

1,4-Dichloro-2-(trifluoromethyl)benzene

Similarity: 0.85

[ 43141-66-8 ]

1-Chloro-4-(difluoromethyl)benzene

Similarity: 0.84

Trifluoromethyls

[ 54773-20-5 ]

1,3-Dichloro-5-(trifluoromethyl)benzene

Similarity: 0.91

[ 328-72-3 ]

3,5-Bis(trifluoromethyl)chlorobenzene

Similarity: 0.89

[ 54773-19-2 ]

1,2-Dichloro-3-(trifluoromethyl)benzene

Similarity: 0.85

[ 320-50-3 ]

1,4-Dichloro-2-(trifluoromethyl)benzene

Similarity: 0.85

[ 74483-46-8 ]

2-Chloro-4-methyl-1-(trifluoromethyl)benzene

Similarity: 0.83

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Ghs Hazard Statements

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

; ;

<ol id="tfi2w"></ol>

<var id="tfi2w"></var>

<ul id="tfi2w"><strong id="tfi2w"><dfn id="tfi2w"></dfn></strong></ul>

<ruby id="tfi2w"><xmp id="tfi2w"><tfoot id="tfi2w"></tfoot></xmp></ruby>