ChemicalBook--->CAS DataBase List--->99-91-2

99-91-2

99-91-2 Structure

99-91-2 Structure
IdentificationMore
[Name]

4'-Chloroacetophenone
[CAS]

99-91-2
[Synonyms]

1-(4-CHLOROPHENYL)ETHANONE
1-ACETYL-4-CHLOROBENZENE
4'-CHLOROACETOPHENONE
4-CHLOROACETOPHENONE
4-CHLOROBENZOPHENONE
(4-chlorophenyl)phenyl-methanone
AKOS 90577
AKOS BBS-00003217
CHLOROACETOPHENONE-4
CHLOROBENZOPHENONE (4-)
P'-CHLOROACETOPHENONE
P-CHLOROACETOPHENONE
P-CHLOROBENZOPHENONE
1-(4-chlorophenyl)-ethanon
1-(4-chlorophenyl)ethanone[qr]
4’-chloro-acetophenon
4-acetylchlorobenzene
4-chloroacetophenone[qr]
4-chlorophenylmethylketone
Acetophenone, 4'-chloro-
[EINECS(EC#)]

202-800-7
[Molecular Formula]

C8H7ClO
[MDL Number]

MFCD00000622
[Molecular Weight]

154.59
[MOL File]

99-91-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to yellowish liquid after melting
[Melting point ]

14-18 °C (lit.)
[Boiling point ]

232 °C (lit.)
[density ]

1.192 g/mL at 25 °C(lit.)
[vapor pressure ]

8 mm Hg ( 90 °C)
[refractive index ]

n20/D 1.554(lit.)
[Fp ]

194 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

111mg/l (slow decomposition)
[form ]

Liquid After Melting
[color ]

Clear colorless to yellow
[Odor]

at 100.00 %. sweet mild acetophenone hay
[Odor Type]

floral
[Water Solubility ]

111 mg/L (25 ºC)
[Detection Methods]

GC,NMR
[Merck ]

14,2116
[BRN ]

386014
[InChI]

1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
[InChIKey]

BUZYGTVTZYSBCU-UHFFFAOYSA-N
[SMILES]

CC(=O)c1ccc(Cl)cc1
[LogP]

2.32 at 20℃
[CAS DataBase Reference]

99-91-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanone, 1-(4-chlorophenyl)-(99-91-2)
[EPA Substance Registry System]

99-91-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P301+P312-P305+P351+P338
[Hazard Codes ]

T+,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3416 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

KM5600000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29147090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
STOT SE 3
[Safety Profile]

Poison by intraperitoneal route. Moderately toxic by ingestion. A powerful irritant and lachrymator. Human systemic effects by inhalation: lachrymation and unspecified effects on the eye and sense of smell. Combustible when exposed to heat or flame. To fight fire, use water, foam, alcohol foam, dry chemical. When heated to decomposition or on contact with water or steam it emits toxic fumes of Cl-
[Hazardous Substances Data]

99-91-2(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aluminum chloride-->Carbon disulfide
[Preparation Products]

4-(4-Chlorophenyl)-1,2,3-thiadiazol-5-amine-->whitener WG for wool-->2-Amino-4-(4-chloro-phenyl)-thiophene-3-carboxylic acid ethyl ester-->4-(4-Chlorophenyl)-1,2,3-thiadiazole-->4-Chloro-2'-bromoacetophenone-->Fluorescent Brightener DCB-->3-(4-Chlorophenyl)-1H-pyrazole-5-carboxamide ,97%-->5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid-->3-(4-Chlorophenyl)-1H-pyrazole-5-carbohydrazide-->4-(4-Chlorophenyl)pyrimidine-2-thiol-->4-Chloro-alpha-methylstyrene-->Ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate-->4-Chloromandelic acid-->4-Acetylbiphenyl-->2-(4-Chlorophenyl)indole-->4'-tert-Butylacetophenone-->3',4'-Dichloroacetophenone-->4-Chlorobenzoylacetonitrile-->Methyl (4-chlorobenzoyl)acetate-->4'-Piperidinoacetophenone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-(4-Chlorophenyl)ethanone(99-91-2).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to yellowish liquid after melting
[Uses]

Chloroacetophenone is used as a tear gas for riot control and as a kind of chemical mace against small groups or individuals
[Definition]

ChEBI: P-chloroacetophenone is an organic molecular entity.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 44, p. 2568, 1979 DOI: 10.1021/jo01328a051
Tetrahedron Letters, 42, p. 265, 2001 DOI: 10.1016/S0040-4039(00)01935-3
Synthetic Communications, 25, p. 2261, 1995 DOI: 10.1080/00397919508011781
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Chloroacetophenone(99-91-2)MS
4'-Chloroacetophenone(99-91-2)1HNMR
4'-Chloroacetophenone(99-91-2)13CNMR
4'-Chloroacetophenone(99-91-2)IR1
4'-Chloroacetophenone(99-91-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4'-Chloroacetophenone, 97%(99-91-2)
[Alfa Aesar]

4'-Chloroacetophenone, 98+%(99-91-2)
[Sigma Aldrich]

99-91-2(sigmaaldrich)
[TCI AMERICA]

4'-Chloroacetophenone,>97.0%(GC)(99-91-2)
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