98-56-6

Name 4-Chlorobenzotrifluoride
CAS 98-56-6
EINECS(EC#) 202-681-1
Molecular Formula C7H4ClF3
MDL Number MFCD00000627
Molecular Weight 180.55
MOL File 98-56-6.mol

Chemical Properties

Appearance Chlorobenzotrifluoride is a colorless, highly flammable liquid.
Melting point  -36 °C (lit.)
Boiling point  136-138 °C (lit.)
density  1.353 g/mL at 25 °C(lit.)
vapor pressure  10hPa at 25℃
refractive index  n20/D 1.446(lit.)
Fp  117 °F
storage temp.  Flammables area
solubility  56mg/l
form  Liquid
color  Clear colorless
Specific Gravity 1.353
Odor aromatic odor
Stability: Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases.
Water Solubility  29 ppm (23 ºC)
Usage A benzene derivative; shows mutagenicity and toxicity activity
Merck  14,2126
BRN  510203
Henry's Law Constant 2.8×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
Exposure limits ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
InChI 1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey QULYNCCPRWKEMF-UHFFFAOYSA-N
SMILES FC(F)(F)c1ccc(Cl)cc1
LogP 3.7 at 25℃
CAS DataBase Reference 98-56-6(CAS DataBase Reference)
IARC 2B (Vol. 125)
NIST Chemistry Reference Benzene, 1-chloro-4-(trifluoromethyl)-(98-56-6)
EPA Substance Registry System 98-56-6(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
Signal word  Warning
Hazard statements  H226-H317-H411
Precautionary statements  P210-P273-P280-P302+P352
Hazard Codes  Xi,F,N
Risk Statements 
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 2234 3/PG 3
WGK Germany  2
RTECS  XS9145000
Hazard Note  Flammable/Irritant
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29036990
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Flam. Liq. 3
Skin Sens. 1
Safety Profile
Mildly toxic by ingestion and inhalation. Human mutation data reported. Flammable. Strongly exothermic reaction with sodium dimethylsulfinate. When heated to decomposition it emits toxic fumes of Fand Cl-. See also CHLORINATED HYDROCARBONS, AROMATIC; and FLUORIDES.
Hazardous Substances Data 98-56-6(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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