Chemical Properties of 5-Chloro-2-nitrobenzotrifluoride (CAS 118-83-2)

5-Chloro-2-nitrobenzotrifluoride

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InChI
InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChI Key
CFPIGEXZPWTNOR-UHFFFAOYSA-N
Formula
C7H3ClF3NO2
SMILES
O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F
Molecular Weight1
225.55
CAS
118-83-2
Other Names
  • 5-chloro-«alpha»,«alpha»,«alpha»-trifluoro-2-nitrotoluene
  • Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
Sources

Physical Properties

Property Value Unit Source
Δf -456.76 kJ/mol Joback Calculated Property
Δfgas -597.80 kJ/mol Joback Calculated Property
Δfus 24.53 kJ/mol Joback Calculated Property
Δvap 52.00 kJ/mol Joback Calculated Property
logPoct/wat 3.27 Crippen Calculated Property
Pc 3341.24 kPa Joback Calculated Property
Tboil 496.00 ± 1.00 K NIST
Tc 812.52 K Joback Calculated Property
Tfus 397.83 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 270.79 J/mol×K 580.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-F 3
=CH- (ring) 3
-NO2 1
=C< (ring) 3
-Cl 1
>C< 1

Similar Compounds

2-Nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene. 5-Amino-2-nitrobenzotrifluoride. 5-Hydroxy-2-nitrobenzotrifluoride. 5-Bromo-2-nitrobenzotrifluoride. Benzenamine, 4-chloro-2-(trifluoromethyl)-. 3-Trifluoromethyl-n,n-dimethyl-4-nitroaniline. Benzonitrile, 5-chloro-2-nitro-. Flutamide. Benzene, 1-chloro-4-nitro-2-(trifluoromethyl)-. Acetic acid, (5-chloro-2-nitrophenyl)methyl ester. 2-Amino-5-nitrobenzotrifluoride. 5-Chloro-2-nitrobenzyl alcohol, bromomethyldimethylsilyl ether. Acetophenone, 5'-chloro-2'-nitro-. 4-Chloro-2-nitrotoluene. 5-Chloro-2-nitrobenzoic acid.

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