Chemical Properties of Benzene, 1-isocyanato-4-nitro- (CAS 100-28-7)

Benzene, 1-isocyanato-4-nitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
InChI Key
GFNKTLQTQSALEJ-UHFFFAOYSA-N
Formula
C7H4N2O3
SMILES
O=C=Nc1ccc([N+](=O)[O-])cc1
Molecular Weight1
164.12
CAS
100-28-7
Other Names
  • 1-Isocyanato-4-nitrobenzene
  • 4-Nitrophenyl isocyanate
  • Isocyanic acid, p-nitrophenyl ester
  • p-Nitrophenyl isocyanate
Sources

Physical Properties

Property Value Unit Source
Δfgas 21.08 kJ/mol Joback Calculated Property
Δvap 60.24 kJ/mol Joback Calculated Property
logPoct/wat 1.56 Crippen Calculated Property
Pc 4516.42 kPa Joback Calculated Property
Tboil 609.73 K Joback Calculated Property
Tc 865.38 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzene, 1-isothiocyanato-4-nitro-. p-Nitroaniline. (CH3)2N-CH=N-(4-nitrophenyl). Methanimidamide, N,N-dimethyl-N'-(4-nitrophenyl)-. Benzene, 1,4-dinitro-. P-nitrophenyl hydrazine. 4-Nitrophenylhydrazine hydrochloride. Benzylidene-(4-nitrophenyl)-amine. Benzene, 1-isocyano-4-nitro-. Benzenamine, N-methyl-4-nitro-. Benzenamine, n-[(4-methylphenyl)methylene]-4-nitro-. Benzene, nitro-. N'-(4-nitro-phenyl)-N,N-dimethyl-acetamidine. Benzene, 1-azido-4-nitro-. Benzenamine, N,N-dimethyl-4-nitro-.

Find more compounds similar to Benzene, 1-isocyanato-4-nitro-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.