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Quality Control of [ 585-74-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 585-74-0 ]

Product Citations

Dehaloperoxidase Catalyzed Stereoselective Synthesis of Cyclopropanol Esters

Siriboe, Mary G ; Vargas, David A ; Fasan, Rudi JOC,2022,88(12):7630-7640. DOI: 10.1021/acs.joc.2c02030 PubMed ID: 36542602

Abstract: Chiral cyclopropanols are highly

Purchased from AmBeed: class="">99-94-5 ; class="">100-09-4 ; class="">99-94-5 ; class="">403-42-9 ; class="">585-74-0 ; class="">709-63-7 ; class="">577-16-2 ; class="">99-90-1 ; class="">769-78-8 ; class="">931-48-6 ; class="">122-00-9 ; class="">946-39-4 ; class="">34702-96-0 ; class="">100-06-1 ; class="">16545-68-9 ; class="">2206-94-2 ; class="span_more span_less">88912-03-2 ; class="span_more span_less">946-38-3 ; class="span_more span_less">7605-25-6 ; class="span_more span_less">930-51-8 ; class="span_more span_less">20461-98-7 ; class="span_more span_less">5296-64-0 ; class="span_more span_less">99-90-1 class="keywords_more email-color more_span" onclick="change_span_more(this)">...More

Product Details of [ 585-74-0 ]

CAS No. :	585-74-0	MDL No. :	MFCD00008742
Formula :	C₉H₁₀O	Boiling Point :	-
Linear Structure Formula :	(CH₃)C₆H₄COCH₃	InChI Key :	FSPSELPMWGWDRY-UHFFFAOYSA-N
M.W :	134.18	Pubchem ID :	11455
Synonyms :		Chemical Name :	1-(m-Tolyl)ethanone

Calculated chemistry of [ 585-74-0 ] Expand+

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.6
TPSA :	17.07 ?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) :	-5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.04
Log Po/w (XLOGP3) :	2.15
Log Po/w (WLOGP) :	2.2
Log Po/w (MLOGP) :	2.1
Log Po/w (SILICOS-IT) :	2.64
Consensus Log Po/w :	2.22

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.4
Solubility :	0.529 mg/ml ; 0.00394 mol/l
Class :	Soluble
Log S (Ali) :	-2.14
Solubility :	0.97 mg/ml ; 0.00723 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.09
Solubility :	0.11 mg/ml ; 0.000818 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 585-74-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 585-74-0 ]

* 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 [ 585-74-0 ]
Downstream synthetic route of [ 585-74-0 ]

[ 585-74-0 ] Synthesis Path-Upstream 1~2

1
[ 400-38-4 ]
[ 585-74-0 ]
[ 53764-99-1 ]

Yield	Reaction Conditions	Operation in experiment
87%	With sodium methylate In toluene for 4 h; Reflux	To a solution of isopropyl 2,2,2-trifluoroacetate 10 (7.40g, 0.0474mol) in toluene (15 mL) was added and 3’-methylacetophenone 11 (6.36g, 0.0474mol) and cooled to 0°C, followed by dropwise addition Sodium methoxide (3.0g, 0.0616 mol) to the reaction mixture. The reaction mixture was heated to reflux. After stirring for 4 h, the reaction mixture was diluted with water (275 mL), brine (275 mL), EtOAc (500 mL). The aqueous layer was separated and extracted with EtOAc (200 mL x 4). The combined organic phases were washed with brine (500 mL x 1), dried over Na₂SO₄ and concentrated under vacuum. The crude product purified by flash column chromatography to give 4,4,4-trifluoro-1-(m-tolyl)butane-1,3-dione, 8 as a white solid (9.5g, 87percent yield). To a 500 mL round-bottomed flask containing ethyl acetate (20 mL) and water (16 mL) was added 4,4,4-trifluoro-1-(m-tolyl)butane-1,3-dione 8 (4.0g, 0.0174mol), the reaction mixture was cooled to 0°C and stirred for 15 min. 4-hydrazinobenzenesulfonamide hydrochloride7 (4.0g, 0.0214 mol) was added to the reaction mixture slowly. The reaction was refluxed for 8 h then cooled to rt. The solid precipitated on cooling was filtered, the filtered solid was washed with cold isopropyl alcohol (20mL X 2) to give the the impurity A 2 as white solid (5.15g) with an excellent yield of 92.0percent. 4-(5-(m-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide (2) ¹H NMR (400 MHz, DMSO - d₆) δ 7.94 – 7.79 (m, 2H), 7.60 – 7.45 (m, 4H), 7.21 (dd, J = 10.9, 5.1 Hz, 4H), 7.08 – 6.89 (m, 1H), 2.25 (s, 3H). ¹³C NMR(101 MHz, DMSO - d₆) δ 145.82, 144.54, 142.86, 142.45, 141.59, 138.80, 130.57, 130.04, 129.18, 128.69, 127.31, 126.51, 121.86 (q, J = 265 Hz), 106.91, 21.42. ¹⁹F NMR (376 MHz, DMSO - d₆) δ -60.77. HRMS m/z (M-H)^-: 380.0695; calculated for C₁₇H₁₄F₃N₃O₂S; 380.0686

Reference： [1] Bulletin of the Korean Chemical Society, 2019,

2
[ 383-63-1 ]
[ 585-74-0 ]
[ 53764-99-1 ]

Reference： [1] Organic and Biomolecular Chemistry, 2016, vol. 14, # 5, p. 1531 - 1535
[2] Journal of Medicinal Chemistry, 1997, vol. 40, # 9, p. 1347 - 1365
[3] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 2, p. 499 - 504
[4] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 12, p. 3406 - 3413

[ 585-74-0 ] Synthesis Path-Downstream 1~7

1
[ 134-62-3 ]
[ 917-54-4 ]
[ 585-74-0 ]

Reference： [1]Journal of Organic Chemistry,1990,vol. 55,p. 3565 - 3568
[2]Tetrahedron Letters,1987,vol. 28,p. 4391 - 4394

2
[ 585-74-0 ]
[ 51012-64-7 ]

Yield	Reaction Conditions	Operation in experiment
96%	With Oxone; ammonium bromide; In methanol; for 0.666667h;Reflux;	General procedure: Oxone (1.352 g, 2.2 mmol) was added to the well stirred solution of substrate (2 mmol) and NH4Br (0.215 g, 2.2 mmol) in methanol (10 ml) and the reaction mixture was allowed to stir at room temperature (or reflux temperature). After completion of the reaction, as monitored by TLC, the reaction mixture was quenched with aqueous sodium thiosulfate, and extracted with ethyl acetate (3×25 ml). Finally, the combined organic layer was washed with water, dried over anhydrous sodium sulfate, filtered and removal of solvent in vacuo yielded a crude residue, which was further purified by column chromatography over silica gel (finer than 200 mesh) to afford pure products. All the products were identified on the basis of 1H NMR and mass spectral data.
80%	With bromine; In 1,4-dioxane; diethyl ether; at 20℃; for 5h;	To a solution of 1-m-tolyl-ethanone (6.Og, 44.72mmol) in dioxane (5ml), bromine (7.14g, 44.72mmol) in dioxane (10ml) and ether (15ml) was added and stirred at room temperature for 5 hr. The reaction mixture was poured into ice water and the compound was extracted using ethyl acetate. The organic layer was washed with water and brine, dried over anhydrous sodium sulfate, filtered and then evaporated to give crude 2- bromo- 1-m-tolyl-ethanone, 7.6g (80%). The crude compound obtained was used in the next step without further purification.
	With bromine; In diethyl ether; at 0℃;	Example 21: 4-[2,5-Dioxo-4-hydroxymethyl-3-methyl-4-(3-methylphenyl)imidazolidin-l-yl]-2- trifluoromethyl-benzonitrile (Method A)Step I: 2-bromo- 1 -(3-methylphenyl)ethanone; [00339] To a solution of l-(3-methylphenyl)ethanone (2 g) in ethyl ether (20 mL) is added bromine (726 muL) at 00C. The mixture is treated with an aqueous solution of sodium bicarbonate, extracted with ethyl ether, dried over magnesium sulfate, concentrated and purified on silica gel (ethyl acetate/cyclohexane 0/100) to give the desired compound.TLC: Fr = 0.42 (ethyl acetate/cyclohexane 10/90). delta 1H NMR (CDCl3): 2.47 (s, 3H); 4.49 (s, 2H); 7.40-7.47 (m, 2H); 7.81-7.91 (m, 2H).LCMS: (Rt = 3.42 min): not ionisable.

	With N-Bromosuccinimide; trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at 40℃;Darkness;	General procedure: Ketone (1 eq) and N-bromosuccinimide (NBS) (2 eq) were solved in acetonitrile and trimethylsilyl trifluoromethanesulfonate (TMS-OTf) (1 eq) was added. The reactions were stirred at T = 40 C until completeness, diluted with diethyl ether (2 ml), washed with H2O (3 x 2 ml), dried over Na2SO4 and concentrated under reduced pressure. This procedure provided bromoketones intermediates in 75-90% overall yield, with purities generally >90% as determined by HPLC-MS. The compounds was used without further purification.
	With hydrogen bromide; bromine; acetic acid; at 0 - 5℃;	General procedure: General procedure to obtainalpha-bromoacetophenonederivatives Acetophenone derivative (10 mmol) was solved in acetic acid(50 mL) and hydrobromic acid (0.5 mL) mixture. Bromine(10 mmol, 0.52 mL) was added dropwise to this mixture at 0-5Ctemperatureandthemixturewasstirredfor6-7h.Afterthisperiod, the mixture was poured into ice-water, collapsed portionwas filtrated and after dryness it was crystallized from ethanol.
	With N-Bromosuccinimide; toluene-4-sulfonic acid; In acetonitrile; at 50℃; for 24h;	General procedure: Synthesis of alpha-Aminocarbonyl Compounds by a Two-Step Method. First Step Synthesis of alpha-bromoacetophenone: to a solution of the acetophenone derivative (15.0 mmol, 1 equiv) in 8 mL of acetonitrile were added NBS (2.72 g, 15.3 mmol, 1.02 equiv) and p-toluenesulfonic acid (2.85 g, 15.0 mmol, 1 equiv). The reaction mixture was stirred for 24 h at 50 C. After that time, the solvent was evaporated under reduced pressure. A water solution of saturated NaHCO3 (30 mL) was then added, and the solution was extracted with dichloromethane (3 × 30 mL). The organic layers were combined and dried over Na2SO4. The solvent was evaporated, and the residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate = 25:1, V/V) to afford the desired product in 82% yield as a white solid. After that, alpha-bromoacetophenone (5 mmol) and with aniline (5 mmol) and NaHCO3 (5 mmol) were added to a stirred solution of EtOH (20 ml) at room temperature for 12 h. The crude product was filtered under reduced pressure to give a yellow precipitate, which was recrystallized by EtOH and the yellow solid was isolated in 86% yield.
	With bromine; In chloroform; at 20℃; for 1h;Cooling with ice;	3-methylacetophenone (1.34 g, 10 mmol) was dissolved in 100 ml of chloroform.Br2 (1.91 g, 12 mmol) was slowly added dropwise under ice bath, and the mixture was stirred at room temperature for 1 h.After completion of the reaction, the reaction was quenched with saturated sodium sulfite, and the organic phase was washed with saturated sodium bicarbonate, and saturated brine.After dried over anhydrous sodium sulfate, the solvent was removed in vacuo to give a crude product 2.13g.

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 191 - 195
[2]Journal of Medicinal Chemistry,2012,vol. 55,p. 8236 - 8247,12
[3]Synthetic Communications,2013,vol. 43,p. 2603 - 2614
[4]Journal of Heterocyclic Chemistry,2020,vol. 57,p. 2279 - 2287
[5],2019,vol. 10,p. 1958 - 1965
[6]Patent: WO2006/123145,2006,A1 .Location in patent: Page/Page column 41
[7]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1170 - 1176
[8]Journal of Pharmaceutical Sciences,1982,vol. 71,p. 556 - 561
[9]Chemical and pharmaceutical bulletin,1995,vol. 43,p. 1497 - 1504
[10]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 1291 - 1295
[11]Patent: WO2010/29119,2010,A1 .Location in patent: Page/Page column 63
[12]Journal of Heterocyclic Chemistry,2014,vol. 51,p. 954 - 971
[13]European Journal of Medicinal Chemistry,2015,vol. 99,p. 14 - 35
[14]MedChemComm,2015,vol. 6,p. 1036 - 1042
[15]Chemical Biology and Drug Design,2015,vol. 86,p. 849 - 856
[16]Chemical Communications,2016,vol. 52,p. 5152 - 5155
[17]Phosphorus, Sulfur and Silicon and the Related Elements,2016,vol. 191,p. 1166 - 1173
[18]Organic Letters,2017,vol. 19,p. 2877 - 2880
[19]Organic and Biomolecular Chemistry,2017,vol. 15,p. 8134 - 8139
[20]Tetrahedron Letters,2018,vol. 59,p. 3214 - 3219
[21]Chemical Communications,2018,vol. 54,p. 12182 - 12185
[22]Drug Development Research,2018,vol. 79,p. 406 - 425
[23]Patent: CN109320458,2019,A .Location in patent: Paragraph 0174; 0175; 0176
[24]Organic and Biomolecular Chemistry,2019,vol. 17,p. 3324 - 3327
[25]Organic Letters,2019,vol. 21,p. 6674 - 6678
[26]Journal of Heterocyclic Chemistry,2019,vol. 56,p. 3370 - 3386

3
[ 383-63-1 ]
[ 585-74-0 ]
[ 53764-99-1 ]

Reference： [1]Organic and Biomolecular Chemistry,2016,vol. 14,p. 1531 - 1535
[2]Journal of Medicinal Chemistry,1997,vol. 40,p. 1347 - 1365
[3]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 499 - 504
[4]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 3406 - 3413

4
[ 585-74-0 ]
[ 875815-03-5 ]
[ 51012-64-7 ]

Yield	Reaction Conditions	Operation in experiment
93%	With N-Bromosuccinimide; silica gel; In methanol; for 0.25h;Reflux;	General procedure: The alpha-bromination reaction was carried out using acetophenone (1200 mg, 10 mmol), N-bromosuccinimide (2136 mg, 12 mmol), 10% (w/w) silica gel (120mg) in 10 mL of methanol at reflux conditions until the disappearance of the substrate. (Note: 2136mg of N-bromosuccinimide was added portion wise i.e. 356 mg for each time in six portions). The progress of the reaction was monitored by TLC. The reaction mass was filtered after the completion of the reaction as per TLC and the catalyst was collected for reuse. The filtrate was concentrated under vacuum. Double distilled water was added to the reaction mixture and quenched with aqueous sodium thiosulfate and the product extracted with dichloromethane (Caution: Severe burning sensation of eyes was observed during the work-up process). The layers were separated and the organic layer was collected and washed thrice with distilled water (3×50mL). The collected organic layer was dried over anhydrous Na2SO4, filtered and concentrated. The obtained crude product was purified by column chromatography over silica gel (60-120 mesh) using n-hexane-EtOAc (99:1 ratio). With the aim of studying the recycling of the catalyst, the isolated catalyst was washed with ethyl acetate (5mL) after its filtration from the reaction medium, collected and dried in vacuum at 70C to a constant weight. Subsequently it was reused for the alpha-bromination of acetophenone and achieved 95%, 86% and 83% yields of product (2a) for first, second and third reuse of catalyst respectively. All products gave spectroscopic data in agreement with the literature [15,21,27-30]. The method is also very practical for scale up in process development. We attempted large scale (100 gram scale) synthesis of 2-bromo-1-phenylethanone 2a and obtained fruitful results with isolated yields ranging from 93% to 96%.

Reference： [1]Chinese Chemical Letters,2014,vol. 25,p. 179 - 182

5
[ 37585-16-3 ]
[ 585-74-0 ]
7-chloro-2-(3'-methylphenyl)quinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	With tris(triphenylphosphine)ruthenium(II) chloride; potassium hydroxide; In toluene;Reflux;	23.4 g (148.4 mmol) of <strong>[37585-16-3]2-amino-4-chloro-benzyl alcohol</strong>, 29.9 g of 3'-methylacetophenone(222.7 mmol), 2.8 g of tris(triphenylphosphine)ruthenium (II) chloride, and 9.2 g of potassium hydroxide and 180 mL of toluene were placed in a reaction flask, stirred under heating to reflux, and separated by a condensed reflux water separator. When the reaction was completed, it was cooled to room temperature and the pad was filtered through silica gel. The product was further purified by column chromatography (eluent: n-hexane / ethyl acetate = 2 / 100), and finally crystallised from isopropanol to give 22.6 g of 7-chloro-2-(3'-methylphenyl)quinoline ( Yield: 60.0%).

Reference： [1]Patent: CN108997437,2018,A .Location in patent: Paragraph 0044; 0045; 0046

6
[ 400-38-4 ]
[ 585-74-0 ]
[ 53764-99-1 ]

Yield	Reaction Conditions	Operation in experiment
87%	With sodium methylate; In toluene; for 4h;Reflux;	To a solution of isopropyl 2,2,2-trifluoroacetate 10 (7.40g, 0.0474mol) in toluene (15 mL) was added and 3?-methylacetophenone 11 (6.36g, 0.0474mol) and cooled to 0C, followed by dropwise addition Sodium methoxide (3.0g, 0.0616 mol) to the reaction mixture. The reaction mixture was heated to reflux. After stirring for 4 h, the reaction mixture was diluted with water (275 mL), brine (275 mL), EtOAc (500 mL). The aqueous layer was separated and extracted with EtOAc (200 mL x 4). The combined organic phases were washed with brine (500 mL x 1), dried over Na2SO4 and concentrated under vacuum. The crude product purified by flash column chromatography to give 4,4,4-trifluoro-1-(m-tolyl)butane-1,3-dione, 8 as a white solid (9.5g, 87% yield). To a 500 mL round-bottomed flask containing ethyl acetate (20 mL) and water (16 mL) was added 4,4,4-trifluoro-1-(m-tolyl)butane-1,3-dione 8 (4.0g, 0.0174mol), the reaction mixture was cooled to 0C and stirred for 15 min. 4-hydrazinobenzenesulfonamide hydrochloride7 (4.0g, 0.0214 mol) was added to the reaction mixture slowly. The reaction was refluxed for 8 h then cooled to rt. The solid precipitated on cooling was filtered, the filtered solid was washed with cold isopropyl alcohol (20mL X 2) to give the the impurity A 2 as white solid (5.15g) with an excellent yield of 92.0%. 4-(5-(m-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide (2) 1H NMR (400 MHz, DMSO - d6) delta 7.94 - 7.79 (m, 2H), 7.60 - 7.45 (m, 4H), 7.21 (dd, J = 10.9, 5.1 Hz, 4H), 7.08 - 6.89 (m, 1H), 2.25 (s, 3H). 13C NMR(101 MHz, DMSO - d6) delta 145.82, 144.54, 142.86, 142.45, 141.59, 138.80, 130.57, 130.04, 129.18, 128.69, 127.31, 126.51, 121.86 (q, J = 265 Hz), 106.91, 21.42. 19F NMR (376 MHz, DMSO - d6) delta -60.77. HRMS m/z (M-H)-: 380.0695; calculated for C17H14F3N3O2S; 380.0686

Reference： [1]Bulletin of the Korean Chemical Society,2019,vol. 40,p. 479 - 480

7
[ 585-74-0 ]
[ 51015-29-3 ]

Reference： [1]Journal of Heterocyclic Chemistry,2019,vol. 56,p. 1672 - 1683

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Technical Information

? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? Grignard Reaction ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

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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. 585-74-0 ] {[proInfo.proName]}

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Aryls

Ketones

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