Chemical Properties of Benzene, 1-isocyanato-2-(trifluoromethyl)- (CAS 2285-12-3)

Benzene, 1-isocyanato-2-(trifluoromethyl)-

InChI
InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChI Key
GZWGTVZRRFPVAS-UHFFFAOYSA-N
Formula
C8H4F3NO
SMILES
O=C=Nc1ccccc1C(F)(F)F
Molecular Weight1
187.12
CAS
2285-12-3
Other Names
  • Isocyanic acid, «alpha»,«alpha»,«alpha»-trifluoro-o-tolyl ester
  • o-(Trifluoromethyl)phenyl isocyanate
  • 2-(Trifluoromethyl)phenyl isocyanate
  • «alpha»,«alpha»,«alpha»-Trifluoro-o-tolyl isocyanate
  • 2-Trifluoromethylphenylaisocyanate
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Physical Properties

Property Value Unit Source
ΔfH°gas -611.27 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 46.01 kJ/mol Relay (1.0) Calculated Property
IE 9.29 eV Relay (1.0) Calculated Property
logPoct/wat 2.673 Crippen Calculated Property
McVol 112.380 ml/mol McGowan Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Tboil 423.54 K Relay (1.0) Calculated Property
Tc 643.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Benzene, 1-isocyanato-3-(trifluoromethyl)-. Benzene, 1-isothiocyanato-3-(trifluoromethyl)-. Benzenamine, 2-(trifluoromethyl)-. 4-Bromo-2-trifluoromethylphenyl isothiocyanate. Benzene, 1-isocyanato-2-methyl-. 2-Nitro-«alpha»,«alpha»,«alpha»-trifluorotoluene. 2-Cyanophenyl isothiocyanate. 2-(Trifluoromethyl)phenylhydrazine. Benzenamine, 3-(trifluoromethyl)-. Benzene, 2,4-diisocyanato-1-methyl-. Benzene, 1-isocyanato-3-methyl-. Benzene, 1-nitro-3-(trifluoromethyl)-. 2,3-Dimethylphenylisocyanate. Benzene, 1-isothiocyanato-2-methyl-. 2-Chloro-5-trifluoromethylphenyl isothiocyanate.

Find more compounds similar to Benzene, 1-isocyanato-2-(trifluoromethyl)-.

Sources

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