chempirical

N-(4-Chlorophenyl)-2-nitrobenzenamine

C12H9ClN2O2CAS 23008-56-2248.67 g/mol

Open in Covalent MOL file
ON+O−NHCl
Aryl halideNitroSecondary amine

Properties

Molecular formula
C12H9ClN2O2
Molar mass
248.67 g/mol
Exact mass
248.0353 Da
Melting point
145–146 °C
logP
3.99Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
23008-56-2
SMILES
O=[N+]([O-])c1ccccc1Nc1ccc(Cl)cc1
InChIKey
RCLKXSIRDRWUGX-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H

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Names and synonyms

12 names
  • Benzenamine, N-(4-chlorophenyl)-2-nitro-
  • Diphenylamine, 4′-chloro-2-nitro-
  • Diphenylamine, 4-chloro-2′-nitro-
  • 4′-Chloro-2-nitrodiphenylamine
  • 4-Chloro-2′-nitrodiphenylamine
  • 4-Chloro-N-(2-nitrophenyl)benzenamine
  • 2-(4-Chlorophenylamino)-1-nitrobenzene
  • C.I. Disperse yellow 22
  • Disperse yellow 22
  • C.I. 10336
  • N-(4-Chlorophenyl)-2-nitroaniline
  • 2-(4-Chlorophenylamino)nitrobenzene

Work with N-(4-Chlorophenyl)-2-nitrobenzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitrodiphenylamine119-75-574 % similar 2,4′-Dinitrodiphenylamine612-36-272 % similar Hc orange 154381-08-768 % similar (2-Nitrophenyl)hydrazine3034-19-354 % similar N-Methyl-2-nitrobenzenamine612-28-253 % similar 1-[(4-Chlorophenyl)thio]-2-nitrobenzene6764-10-952 % similar 2,4-Dinitrodiphenylamine961-68-252 % similar Hc red 12784-89-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chloro-2-nitro-N-phenylbenzenamine25781-92-4

Elsewhere

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