5-Chloro-2-nitro-N-phenylbenzenamine

C12H9ClN2O2CAS 25781-92-4248.67 g/mol

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

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
25781-92-4
SMILES
O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccc1
InChIKey
FPKHZBVGKMTUHB-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzenamine, 5-chloro-2-nitro-N-phenyl-
  • Diphenylamine, 5-chloro-2-nitro-
  • 2-Nitro-5-chlorodiphenylamine
  • 5-Chloro-2-nitrodiphenylamine
  • N-(5-Chloro-2-nitrophenyl)phenylamine

Work with 5-Chloro-2-nitro-N-phenylbenzenamine

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-Nitrodiphenylamine119-75-565 % similar 2,4-Dinitrodiphenylamine961-68-257 % similar 4-Chloro-1,2-dinitrobenzene610-40-257 % similar 5-Chloro-2-nitrobenzonitrile34662-31-255 % similar HC Red 12784-89-655 % similar 2,4-Dichloronitrobenzene611-06-354 % similar 2,4′-Dinitrodiphenylamine612-36-252 % similar 5-Chloro-2-nitroaniline1635-61-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook