99-91-2

Name 4'-Chloroacetophenone
CAS 99-91-2
EINECS(EC#) 202-800-7
Molecular Formula C8H7ClO
MDL Number MFCD00000622
Molecular Weight 154.59
MOL File 99-91-2.mol
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Chemical Properties

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)
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Safety Data

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)

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