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4-Chlorobenzotrifluoride Structure

4-Chlorobenzotrifluoride

Chemical Properties

Melting point −32.8 °C (−27.0 °F; 240.3 K)
Boiling point 138.6 °C (281.5 °F; 411.8 K)
Density  1.33-1.35 @ 22 °C (72 °F)
vapor pressure  10hPa at 25℃
refractive index  1.45
Flash point 42.8 °C (109.0 °F; 315.9 K)
storage temp.  Flammables area
solubility  56mg/l
form  liquid
color  Colorless
Specific Gravity 1.353
Odor aromatic odor
Water Solubility  29 ppm (23 ºC)
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
Stability Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases.
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)
NIST Chemistry Reference Benzene, 1-chloro-4-(trifluoromethyl)-(98-56-6)
IARC 2B (Vol. 125)
EPA Substance Registry System p-Chlorobenzotrifluoride (98-56-6)

Safety Information

Hazard Codes  Xi,F,N
Risk Statements  10-36/37/38
Safety Statements  26-36-24/25-16-36/37/39
RIDADR  UN 2234 3/PG 3
WGK Germany  2
RTECS  XS9145000
Hazard Note  Flammable/Irritant
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29036990
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Flam. Liq. 3
Skin Sens. 1
Hazardous Substances Data 98-56-6(Hazardous Substances Data)

MSDS

Usage And Synthesis

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