Chemical Properties of Benzene, 1-(chloromethyl)-2-nitro- (CAS 612-23-7)

Benzene, 1-(chloromethyl)-2-nitro-

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InChI
InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChI Key
BXCBUWKTXLWPSB-UHFFFAOYSA-N
Formula
C7H6ClNO2
SMILES
O=[N+]([O-])c1ccccc1CCl
Molecular Weight1
171.58
CAS
612-23-7
Other Names
  • 1-(Chloromethyl) -2-nitrobenzene
  • 2-Nitrobenzyl chloride
  • Toluene, «alpha»-chloro-o-nitro-
  • o-Nitrobenzyl chloride
  • «alpha»-Chloro-o-nitrotoluene
  • «alpha»-chloro-2-nitrotoluene
Sources

Physical Properties

Property Value Unit Source
Δf 134.46 kJ/mol Joback Calculated Property
Δfgas 10.75 kJ/mol Joback Calculated Property
Δfus 23.10 kJ/mol Joback Calculated Property
Δvap 55.09 kJ/mol Joback Calculated Property
logPoct/wat 2.33 Crippen Calculated Property
Pc 3911.14 kPa Joback Calculated Property
Tboil 580.49 K Joback Calculated Property
Tc 834.39 K Joback Calculated Property
Tfus 381.12 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 243.16 J/mol×K 580.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 1
-Cl 1
-NO2 1
=CH- (ring) 4

Similar Compounds

Benzene, 1-methyl-2-nitro-. o-Nitrobenzoyl chloride. Benzene, 1,3-dimethyl-2-nitro-. Benzene, 2,4-dimethyl-1-nitro-. Benzenamine, 3-methyl-4-nitro-. Benzene, 1-ethyl-2-nitro-. Benzene, 1,3,5-trimethyl-2-nitro-. Benzene, 1,4-dimethyl-2-nitro-. 2-Nitrobenzyl bromide. Benzaldehyde, 2-nitro-. 2-Methyl-3-nitroaniline. Benzenamine, 4-methyl-3-nitro-. 4-Chloro-2-nitrotoluene. Benzenemethanol, 2-nitro-. 2-Nitrobenzoic acid nitrile.

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