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4-Chloro-3-nitrobenzotrifluoride Structure

4-Chloro-3-nitrobenzotrifluoride

Chemical Properties

Melting point -2 °C
Boiling point 222 °C(lit.)
Density  1.511 g/mL at 25 °C(lit.)
vapor pressure  10Pa at 25℃
refractive index  n20/D 1.489(lit.)
Flash point 215 °F
storage temp.  Store below +30°C.
solubility  Chloroform, Methanol (Slightly)
form  Liquid
color  Clear yellow
Water Solubility  Insoluble
BRN  523986
Henry's Law Constant 7.2×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI 1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey TZGFQIXRVUHDLE-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F
LogP 3.42
CAS DataBase Reference 121-17-5(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-(121-17-5)
EPA Substance Registry System 4-Chloro-3-nitrobenzotrifluoride (121-17-5)

Safety Information

Hazard Codes  Xn,T,Xi
Risk Statements  22-36/37/38-20/21/22
Safety Statements  26-36-37/39
RIDADR  UN 2307
WGK Germany  2
RTECS  XS9140000
Hazard Note  Toxic
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29049085
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Hazardous Substances Data 121-17-5(Hazardous Substances Data)

MSDS

Usage And Synthesis

4-Chloro-3-nitrobenzotrifluoride Supplier