Chemical Properties of 5-Chloro-3-nitro-o-phenylene diamine (CAS 42389-30-0)

5-Chloro-3-nitro-o-phenylene diamine

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InChI
InChI=1S/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
InChI Key
PIPKLZRJGNJMBY-UHFFFAOYSA-N
Formula
C6H6ClN3O2
SMILES
Nc1cc(Cl)cc([N+](=O)[O-])c1N
Molecular Weight1
187.58
CAS
42389-30-0
Sources

Physical Properties

Property Value Unit Source
Δf 239.68 kJ/mol Joback Calculated Property
Δfgas 76.03 kJ/mol Joback Calculated Property
Δfus 30.12 kJ/mol Joback Calculated Property
Δvap 75.47 kJ/mol Joback Calculated Property
logPoct/wat 1.41 Crippen Calculated Property
Pc 4966.33 kPa Joback Calculated Property
Tboil 712.63 K Joback Calculated Property
Tc 985.51 K Joback Calculated Property
Tfus 561.41 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 287.87 J/mol×K 712.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-NO2 1
-Cl 1
-NH2 2
=CH- (ring) 2

Similar Compounds

Aniline, 4-chloro-2-nitro-. Benzenamine, 2,6-dinitro-. 4-Chloro-2-nitrodiphenylamine. 1,4-Benzenediamine, 2-nitro-. Benzenamine, 2,4,6-trinitro-. 1,3,5-Benzenetriamine, 2,4,6-trinitro-. Benzenamine, 2,4-dinitro-. Benzenamine, 2-chloro-5-nitro-. Benzene, 1-chloro-3-nitro-. 3,5-Dichloronitrobenzene. 2,4,6-Trinitro-N-methyl-aniline. o-Nitroaniline. Benzenamine, 2-chloro-4-nitro-. Hydrazine, (2,4-dinitrophenyl)-. Benzene, 1-chloro-2,4-dinitro-.

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