Chemical Properties of Benzene, 1,2,4-trifluoro-5-nitro- (CAS 2105-61-5)

Benzene, 1,2,4-trifluoro-5-nitro-

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InChI
InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChI Key
ROJNMGYMBLNTPK-UHFFFAOYSA-N
Formula
C6H2F3NO2
SMILES
O=[N+]([O-])c1cc(F)c(F)cc1F
Molecular Weight1
177.08
CAS
2105-61-5
Other Names
  • 1,2,4-Trifluoro-5-nitrobenzene
  • 2,4,5-Trifluoro-1-nitrobenzene
  • 2,4,5-Trifluoronitrobenzene
Sources

Physical Properties

Property Value Unit Source
Δf -465.72 kJ/mol Joback Calculated Property
Δfgas -564.14 kJ/mol Joback Calculated Property
Δfus 24.77 kJ/mol Joback Calculated Property
Δvap 47.35 kJ/mol Joback Calculated Property
logPoct/wat 2.01 Crippen Calculated Property
Pc 3759.17 kPa Joback Calculated Property
Tboil 467.70 K NIST
Tc 747.12 K Joback Calculated Property
Tfus 366.74 K Joback Calculated Property
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 202.84 J/mol×K 527.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-NO2 1
-F 3
=CH- (ring) 2

Similar Compounds

2,3,4,6-Tetrafluoronitrobenzene. Benzene, pentafluoronitro-. 2,4-Difluoronitrobenzene. Benzene, 1,3-difluoro-4,6-dinitro-. Benzene, 1-fluoro-2-nitro-. 4-Bromo-2,5-difluoronitrobenzene. Benzene, 1-fluoro-3-nitro-. Benzenamine, 4-fluoro-3-nitro-. 4-Fluoro-3-nitrotoluene. 3-FLUORO-4-NITROTOLUENE. 4-Fluoro-2-nitroaniline. 2,4,5-Trifluoroaniline. Benzenamine, 2,3,4,5-tetrafluoro-. 1-FLUORO-3-IODO-5-NITROBENZENE. Benzenamine, 2,3,4,6-tetrafluoro-.

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