Chemical Properties of Benzenamine, N-methyl-4-nitro- (CAS 100-15-2)

Benzenamine, N-methyl-4-nitro-

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InChI
InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChI Key
XIFJZJPMHNUGRA-UHFFFAOYSA-N
Formula
C7H8N2O2
SMILES
CNc1ccc([N+](=O)[O-])cc1
Molecular Weight1
152.15
CAS
100-15-2
Other Names
  • 4-Nitro-N-methylaniline
  • Aniline, N-methyl-p-nitro-
  • N-(4-Nitrophenyl)-N-methylamine
  • N-Methyl-4-nitroaniline
  • N-Methyl-p-nitraniline
  • N-Methyl-p-nitroaniline
  • N-Monomethyl-p-nitroaniline
  • NSC 5390
  • p-(Methylamino)nitrobenzene
  • p-Nitro-N-methylaniline
Sources

Physical Properties

Property Value Unit Source
PAff 891.60 kJ/mol NIST
BasG 865.10 kJ/mol NIST
Δcsolid -3867.00 kJ/mol NIST
Δf 235.78 kJ/mol Joback Calculated Property
Δfgas 79.96 kJ/mol Joback Calculated Property
Δfus 24.00 kJ/mol Joback Calculated Property
Δvap 57.14 kJ/mol Joback Calculated Property
IE 8.10 eV NIST
IE 8.17 eV NIST
logPoct/wat 1.64 Crippen Calculated Property
Pc 4167.71 kPa Joback Calculated Property
Tboil 593.23 K Joback Calculated Property
Tc 841.00 K Joback Calculated Property
Tfus 403.86 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.79 J/mol×K 593.23 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>NH 1
=C< (ring) 2
-NO2 1
-CH3 1
=CH- (ring) 4

Similar Compounds

Benzenamine, N,N-dimethyl-4-nitro-. p-Nitroaniline. 3-(4-Nitroanilino)-1-propanol. Benzene, 1,4-dinitro-. N-(4-Nitrophenyl)acetic acid amide. Urea, N-(4-nitrophenyl)-N'-phenyl-. Acetanilide, 2-chloro-4'-nitro-. 4-Nitrophenylhydrazine hydrochloride. P-nitrophenyl hydrazine. 4-Nitro-4'-(N,N-dimethylamino)-azobenzene. Benzene, nitro-. Benzene, 1-isocyano-4-nitro-. P-nitro carbanilic acid, ethyl ester. Benzenamine, N,N-dimethyl-4-nitroso-. N-(4-Nitrophenyl)-N-phenylamine.

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