[ CAS No. 1761-61-1 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 1761-61-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1761-61-1 ]

SDS Specification

Alternatived Products of [ 1761-61-1 ]

Product Details of [ 1761-61-1 ]

CAS No. :	1761-61-1	MDL No. :	MFCD00003330
Formula :	C₇H₅BrO₂	Boiling Point :	No data available
Linear Structure Formula :	(OH)C₆H₃(CHO)Br	InChI Key :	MKKSTJKBKNCMRV-UHFFFAOYSA-N
M.W :	201.02	Pubchem ID :	72863
Synonyms :

Calculated chemistry of [ 1761-61-1 ] Expand+

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	41.55
TPSA :	37.3 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.39
Log Po/w (XLOGP3) :	1.59
Log Po/w (WLOGP) :	1.97
Log Po/w (MLOGP) :	1.55
Log Po/w (SILICOS-IT) :	2.18
Consensus Log Po/w :	1.73

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.47
Solubility :	0.687 mg/ml ; 0.00342 mol/l
Class :	Soluble
Log S (Ali) :	-1.98
Solubility :	2.08 mg/ml ; 0.0104 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.63
Solubility :	0.473 mg/ml ; 0.00236 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.21

Safety of [ 1761-61-1 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1761-61-1 ]

* 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 [ 1761-61-1 ]
Downstream synthetic route of [ 1761-61-1 ]

[ 1761-61-1 ] Synthesis Path-Upstream 1~3

1
[ 95-54-5 ]
[ 1761-61-1 ]
[ 62871-28-7 ]

Yield	Reaction Conditions	Operation in experiment
89%	With A-FGO catalyst In tetrahydrofuran for 2 h; Reflux; Ionic liquid; Green chemistry	General procedure: A mixture of 1,2-phenylenediamine (0.54 g, 5.0 mmol) and 4-nitrobenzaldehyde(1.133 g, 7.5 mmol) in tetrahydrofuran (10 mL) was taken and A-FGO as thecatalyst (0.1 g) was added at room temperature. The resulting mixture was stirredfor 2 h at reflux temperature. Upon completion of the reaction (monitored by TLC), dichloromethane (10 mL) was added while being stirred for 15 min at ambient temperatures. The catalyst was removed by filtration and washed with dichloromethane for reuse in the next cycles (up to five runs) (Fig. 5). The crude product was purified by recrystallisation from ethanol to produce 0.53 g of 2-(4-nitrophenyl)benzimidazole (3d) (Ra = 98 percent). A similar procedure was applied for all other compounds. All the benzimidazole derivatives were fully characterised using the usual spectroscopic techniques.

Reference： [1] New Journal of Chemistry, 2018, vol. 42, # 22, p. 17931 - 17938
[2] Applied Organometallic Chemistry, 2019,
[3] Research on Chemical Intermediates, 2017, vol. 43, # 3, p. 1751 - 1766
[4] Applied Organometallic Chemistry, 2018, vol. 32, # 4,
[5] Journal of Organic Chemistry, 2013, vol. 78, # 22, p. 11184 - 11193
[6] Applied Organometallic Chemistry, 2018, vol. 32, # 10,
[7] Journal of Heterocyclic Chemistry, 2012, vol. 49, # 5, p. 1187 - 1195
[8] Magnetic Resonance in Chemistry, 2005, vol. 43, # 7, p. 551 - 556
[9] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 6, p. 1231 - 1240

2
[ 1761-61-1 ]
[ 62871-28-7 ]

Reference： [1] Recueil: Journal of the Royal Netherlands Chemical Society, 1983, vol. 102, # 2, p. 73 - 77
[2] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982, vol. 21, # 9, p. 872 - 874

3
[ 95-54-5 ]
[ 1761-61-1 ]
[ 29979-27-9 ]
[ 62871-28-7 ]

Reference： [1] Recueil: Journal of the Royal Netherlands Chemical Society, 1983, vol. 102, # 2, p. 73 - 77

[ 1761-61-1 ] Synthesis Path-Downstream 1~18

1
[ 1569-16-0 ]
[ 1761-61-1 ]
[ 123302-63-6 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1989,vol. 28,p. 362 - 364

2
[ 84-67-3 ]
[ 151-50-8 ]
[ 1761-61-1 ]
[ 139555-36-5 ]

Reference： [1]Journal of the Indian Chemical Society,1991,vol. 68,p. 464 - 465

3
[ 105-56-6 ]
[ 1761-61-1 ]
[ 65673-63-4 ]

Yield	Reaction Conditions	Operation in experiment
94%	With N,N,N',N'-tetramethylguanidine; In neat liquid; at 20℃; for 0.583333h;	General procedure: TMG (3.5 mmol) was added to a mixture of SA (1 mmol), MN (1 mmol) and DAP (1 mmol) in neat condition. The resulting mixture was stirred at room temperature. After completion of the reaction (monitored by TLC), distilled water (15 mL) was added to the reaction mixture and stirring continued till a free flowing solid was obtained. It was filtered and then washed successively with water, n-hexane. The crude product was purified by recrystallization from ethanol solution. For this, the crude product was saturated in boiling ethanol and then the solution mixture was filtered when it was hot to remove the undissolved solid. The hot filtrate cooled down to room temperature to afford elemental analytically pure crystalline product. The similar experimental procedures were adopted for the synthesis of all the 2-amino-4H-chrormens.
55%	In ethanol; at 20℃;Molecular sieve;	Ethyl-2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate (HA14-1) was purchased from Wako (Tokyo, Japan) or prepared by following an established procedure [12]. In short, 5-bromosalicylaldehyde was treated with ethyl cyanoacetate in the presence of MS3A in dry ethanol at room temperature to produce HA14-1 with a 55percent yield. Synthesized HA14-1 had inhibitory activity comparable with commercial HA14-1.

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 3497 - 3499
[2]RSC Advances,2015,vol. 5,p. 65526 - 65531
[3]Tetrahedron,2013,vol. 69,p. 10544 - 10551
[4]Tetrahedron Letters,2006,vol. 47,p. 7629 - 7633
[5]Russian Chemical Bulletin,2008,vol. 57,p. 595 - 600
[6]Tetrahedron Letters,2000,vol. 41,p. 6993 - 6996
[7]Tetrahedron Letters,2008,vol. 49,p. 3276 - 3278
[8]Biochemical and Biophysical Research Communications,2013,vol. 433,p. 170 - 174

4
[ 1761-61-1 ]
[ 19063-55-9 ]

Reference： [1]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 292 - 296
[2]Russian Journal of Bioorganic Chemistry,2005,vol. 31,p. 292 - 296
[3]Synthetic Communications,2006,vol. 36,p. 2203 - 2209
[4]Chemical Communications,2011,vol. 47,p. 2679 - 2681
[5]Beilstein Journal of Organic Chemistry,2012,vol. 8,p. 1630 - 1636,7
[6]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 5602 - 5610
[7]Journal of Heterocyclic Chemistry,2018,vol. 55,p. 1183 - 1188

5
[ 42014-51-7 ]
[ 1761-61-1 ]
triphenylphosphino resin [ No CAS ]
[ 19063-55-9 ]

Reference： [1]Synlett,2008,p. 355 - 358

6
[ 96-34-4 ]
[ 1761-61-1 ]
[ 19063-55-9 ]

Reference： [1]Synthetic Communications,2009,vol. 39,p. 1666 - 1678

7
[ 57497-39-9 ]
[ 1761-61-1 ]
[ 255052-12-1 ]

Reference： [1]Heteroatom Chemistry,2009,vol. 20,p. 177 - 181

8
[ 127-19-5 ]
[ 1761-61-1 ]
[ 19063-55-9 ]

Yield	Reaction Conditions	Operation in experiment
56%		Example 2. Synthesis of Ethyl-2-amino-6-bromo-4-(2-ethoxy-2-oxoethyl)-4H- chromene-3-carboxylate (Compound 1)POCI3 a. Synthesis of 6-bromocoumarin: In a round bottom flask equipped with a magnetic stirrer and an ice-water bath, A^V-dimethylacetamide (1.98 mmol, 2 eq) was taken followed by the addition of phosphorus oxychloride (1.98 mmol, 2 eq). The reaction mixture was allowed to stir in the ice bath for 30 minutes followed by addition of 5-bromosalicylaldehyde (0.2 g, 0.99 mmol, 1 eq). The reaction mixture was then heated at 68-70 C for 3 hours. Following this the reaction mixture was cooled to room temperature and saturated NaHCO3 solution (10 ml) was then added to it. This mixture was subsequently heated at 68-70 C for another 30 minutes. The crude reaction mixture was cooled and acidified (1 N HCl) to afford an off-white solid which was filtered and washed with water. Yield (56 %)
26.80%		Phosphorus oxychloride (4.62 mL, 49.74 mmol) was carefully added to N,N-dimethylacetamide (6.91 mL, 74.61 mmol) at 0 C, and the mixture was stirred for 0.5 hour at 0 C, followed by addition of compound BB-5C-1 (5.00 g, 24.87 mmol) to the above mixture. After completion of the addition, the reaction mixture was heated to 70 C and stirred for 3 hours. After completion of the reaction, the mixture was cooled to room temperature. After saturated sodium hydrogen carbonate solution (30 mL) was added thereto, the mixture was heated to 60 C and stirred for 0.5 hour to quench the reaction. The mixture was then cooled again to room temperature, adjusted to pH = 2 with concentrated hydrochloric acid, and extracted with dichloromethane (15 mL × 3). The organic phases were combined, washed with water (50 mL), dried over anhydrous sodium sulfate, filtered to remove the desiccant and concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography (eluent: ethyl acetate/petroleum ether = 1/50-1/5) to obtain the title compound BB-5C-2 (1.50 g, yield: 26.80%). 1H NMR (400MHz,CDCl3) delta: 7.71 - 7.61 (m, 3H), 7.27 - 7.22 (m, 1H), 6.48 (br d, J = 9.5 Hz, 1H).

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 6892 - 6903
[2]Patent: WO2008/118802,2008,A1 .Location in patent: Page/Page column 24
[3]Patent: EP3567028,2019,A1 .Location in patent: Paragraph 0192
[4]Journal of Medicinal Chemistry,2009,vol. 52,p. 5937 - 5949
[5]Journal of Medicinal Chemistry,2012,vol. 55,p. 5566 - 5581

9
[ 96-34-4 ]
[ 1761-61-1 ]
[ 19063-55-9 ]
[ 39100-04-4 ]

Reference： [1]Synthetic Communications,2009,vol. 39,p. 4341 - 4349

10
[ 52851-41-9 ]
[ 52147-97-4 ]
[ 1761-61-1 ]
rac-(6bR,14S,14aR)-5-bromo-14-phenyl-14,14a-dihydro-6bH-benzo[5',6'][1,2]oxathiino [4',3':4,5]pyrano[3,2-c]quinolin-7(8H)-one 1,1-dioxide [ No CAS ]
rac-(6aR,7S,14bR)-2-bromo-7-phenyl-9,14b-dihydro-6aH-benzo[5',6'][1,2]oxathiino[4',3':4,5]pyrano[2,3-b]quinolin-14(7H)-one 6,6-dioxide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%; 20%		General procedure: To a stirring solution of 2-hydroxybenzaldehyde derivative 1 (1.0 mmol), styrenesulfonyl chloride (0.20 g, 1.0 mmol), and K2CO3 (0.14 g, 1.0 mmol) in H2O (15 mL) for 2 h was added 4-hydroxycoumarin derivative 2 (1.2 mmol) or 4-hydroxyquinolinone (0.19 g, 1.2 mmol) and EDDA (20 mmol%) and the mixture was heated at reflux for 12 h. After completion of the reaction as indicated by TLC, the mixture was cooled to room temperature and the organics were extracted using CH2Cl2 (30 mL). Evaporation of the solvent under reduced pressure followed by column chromatography on silica gel using hexane-ethyl acetate (3:1), afforded products 3 and 4.

Reference： [1]Tetrahedron,2013,vol. 69,p. 4979 - 4989

11
[ 78364-55-3 ]
[ 1761-61-1 ]
2-(2-(5-bromo-2-hydroxybenzylidene)hydrazino)-6-fluorobenzothiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation;	General procedure: A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized to give compounds 3-29.

Reference： [1]Chinese Chemical Letters,2016,vol. 27,p. 380 - 386

12
[ 367-34-0 ]
[ 1761-61-1 ]
C₁₃H₇BrF₃NO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80.9%	In ethanol; for 6h;Reflux;	To a stirred solution of <strong>[367-34-0]2,4,5-trifluoroaniline</strong> (448mg, 3.05mmol) in absolute ethanol (10mL), 5-bromo-2-hydroxybenzaldehyde (604mg, 3.00mmol) was added. The resulting mixture was refluxed 6h. After cooling to room temperature, the orange product precipitated was washed with cold ethanol and petroleum ether. Yield: 0.798g (80.9%). 1HMMR (CDCl3 400MHZ) delta 12.69 (s, 1H, OH), 8.59 (s, 1H, HC=N), 7.54-7.44 (m, 2H, Ar-H), 7.17-7.04 (m, 2H, Ar-H), 6.95 (d, J=8.7Hz, 1H, Ar-H). IR: 3417, 3066, 1627, 1517, 1477, 1429, 1330, 1278, 1155, 869, 767, 719, 626. C13H7BrF3NO (330.1000): calcd. C 47.30, H 2.14, N 4.24; found C 47.36, H 2.07, N 4.29.

Reference： [1]Organic electronics,2017,vol. 42,p. 153 - 162

13
[ 367-34-0 ]
[ 1761-61-1 ]
C₂₆H₁₂Br₂F₆N₂O₂Pt [ No CAS ]

Reference： [1]Organic electronics,2017,vol. 42,p. 153 - 162

14
[ 1761-61-1 ]
[ 452339-73-0 ]

Reference： [1]Patent: CN107188813,2017,A

15
[ 4922-98-9 ]
[ 67-64-1 ]
[ 1761-61-1 ]
9-bromo-5-methyl-2-phenyl-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazocine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%	With hydrogenchloride; In 1,4-dioxane; ethanol; at 150℃; for 0.5h;Microwave irradiation; Sealed tube;	General procedure: 3-Amino-1,2,4-triazole 8a?f (1.0 mmol), o-hydroxybenzaldehyde9a?e (1.0 mmol), acetone (10) (0.22 ml,3.0 mmol), and abs. EtOH (2 ml) were mixed in amicrowave process vial, and then 4 N solution of HCl indioxane (0.07 ml, 0.3 mmol) was added. The mixture wasirradiated at 150°C for 30 min. The reaction mixture wascooled by an air flow and stirred for 24 h at roomtemperature for complete precipitation of the product. Theprecipitate was filtered off, washed with EtOH (1 ml) andEt2O (3×1 ml), and dried. Compounds 1a?w were obtainedin a form of white solids.

Reference： [1]Chemistry of Heterocyclic Compounds,2017,vol. 53,p. 1261 - 1267
Khim. Geterotsikl. Soedin.,2017,vol. 53,p. 1261 - 1267,7

16
[ 98-32-8 ]
[ 105-56-6 ]
[ 1761-61-1 ]
3-(5'-sulfonylamine-2'-benzoxazole)-6-bromo-2H-1-benzopyran-2-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	In butan-1-ol; for 7h;Reflux;	General procedure: Salicylaldehyde (2 mmol), ethyl cyanoacetate (2 mmol), and o-aminophenol(2 mmol) were mixed in n-BuOH (20 mL), and the solution was refluxed for 7 h.The solvent was removed, and the residue was suspended in EtOH (10 mL) and stirred with 1 percent NaOH (10 mL) for 30 min. After filtration and washing with water,the product was obtained as yellow solid.

Reference： [1]Research on Chemical Intermediates,2016,vol. 42,p. 1017 - 1028

17
[ 7474-78-4 ]
[ 1761-61-1 ]
2-(5-bromo-2-hydroxyphenyl)-1H-benzo[d]imidazole-5-sulfonic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88%	With sodium metabisulfite; In ethanol; water; for 24h;Reflux;	General procedure: To a solution of the appropriate 3,4-diaminobenzene derivative (1ad)(2 mmol) in ethanol (15 mL) 2.85 N aqueous solution of sodium metabisulphite (1.6 mL) and the appropriate substituted arylaldehyde(2 mmol) were added. The reaction mixture was heated at reflux for 24 h. The solvent was then evaporated under reduced pressure. The residue was added with HCl 1 N (10 mL), the formed precipitate was filtered off, washed with water (3×10 mL) and purified by crystallization from the adequate solvent to give the title compounds.Following the general procedure benzimidazoles 3 [19], 4 [20], 5 [21],7 [24], 6, 32 and 33 [15] were prepared and their analytical and spectral data are in agreement with those reported in literature.

Reference： [1]Bioorganic Chemistry,2019

18
[ 1761-61-1 ]
[ 183288-46-2 ]

Reference： [1]Journal of Chemical Research,2020,vol. 44,p. 243 - 247

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Technical Information

? Acidity of Phenols ? Alkyl Halide Occurrence ? Appel Reaction ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Chugaev Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Electrophilic Substitution of the Phenol Aromatic Ring ? Etherification Reaction of Phenolic Hydroxyl Group ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Halogenation of Phenols ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Jones Oxidation ? Julia-Kocienski Olefination ? Kinetics of Alkyl Halides ? Knoevenagel Condensation ? Kumada Cross-Coupling Reaction ? Leuckart-Wallach Reaction ? Martin's Sulfurane Dehydrating Reagent ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mitsunobu Reaction ? Moffatt Oxidation ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Oxidation of Alcohols by DMSO ? Oxidation of Phenols ? Passerini Reaction ? Paternò-Büchi Reaction ? Pechmann Coumarin Synthesis ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Alcohols ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Alcohols ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reactions with Organometallic Reagents ? Reformatsky Reaction ? Reimer-Tiemann Reaction ? Ritter Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Sharpless Olefin Synthesis ? Stetter Reaction ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Swern Oxidation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

Historical Records

Pharmaceutical Intermediates of
[ 1761-61-1 ]

Febuxostat Related Intermediates

[ 160844-75-7 ]

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

[ 18962-07-7 ]

4-Isobutoxybenzaldehyde

[ 22900-83-0 ]

Ethyl 2-bromo-4-methylthiazole-5-carboxylate

[ 7210-76-6 ]

Ethyl 2-amino-4-methylthiazole-5-carboxylate

[ 3011-34-5 ]

4-Hydroxy-3-nitrobenzaldehyde

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[ 1761-61-1 ]

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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

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

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[ CAS No. 1761-61-1 ] {[proInfo.proName]}

Quality Control of [ 1761-61-1 ]

Related Doc. of [ 1761-61-1 ]

Product Details of [ 1761-61-1 ]

Calculated chemistry of [ 1761-61-1 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1761-61-1 ]

Application In Synthesis of [ 1761-61-1 ]

[ 1761-61-1 ] Synthesis Path-Upstream 1~3

[ 1761-61-1 ] Synthesis Path-Downstream 1~18

Technical Information

Pharmaceutical Intermediates of [ 1761-61-1 ]

Febuxostat Related Intermediates

Related Functional Groups of [ 1761-61-1 ]

Aryls

Bromides

Aldehydes

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[ 1761-61-1 ]

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[ 1761-61-1 ]