chempirical

2,4-Dinitrodiphenylamine

C12H9N3O4CAS 961-68-2259.22 g/mol

Open in Covalent MOL file
ON+O−NHN+OO−
NitroSecondary amine

Properties

Molecular formula
C12H9N3O4
Molar mass
259.22 g/mol
Exact mass
259.0593 Da
Melting point
159 °C
logP
3.25Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
961-68-2
SMILES
O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIKey
RHTVQEPJVKUMPI-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H

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Names and synonyms

17 names · show all
  • Benzenamine, 2,4-dinitro-N-phenyl-
  • Diphenylamine, 2,4-dinitro-
  • 2,4-Dinitro-N-phenylbenzenamine
  • C.I. 10340
  • Acetoquinone yellow 5JZ
  • C.I. Disperse yellow 14
  • Serisol yellow 2G
  • Supracet yellow 3G
  • N-(2,4-Dinitrophenyl)aniline
  • o,p-Dinitrodiphenylamine
  • N-Phenyl-2,4-dinitroaniline
  • N-(2,4-Dinitrophenyl)benzenamine
  • NSC 6150
  • N-(2,4-Dinitrophenyl)-N-phenylamine
  • Disperse yellow 14
  • (2,4-Dinitro-phenyl)-phenyl-amine
  • 2,4-Dinitro-N-phenylaniline

Work with 2,4-Dinitrodiphenylamine

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

Disperse yellow 1119-15-372 % similar Hc red 12784-89-669 % similar 2-Nitrodiphenylamine119-75-569 % similar 4-Nitrodiphenylamine836-30-663 % similar Benzaldehyde 2,4-dinitrophenylhydrazone1157-84-259 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-257 % similar 5-Chloro-2-nitro-N-phenylbenzenamine25781-92-457 % similar N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-252 % similar

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

Same formula

2-[(2,4-Dinitrophenyl)methyl]pyridine1151-97-9 2,4′-Dinitrodiphenylamine612-36-2 Azo violet74-39-5 4-[(4-Nitrophenyl)azo]-1,2-benzenediol843-33-4

Elsewhere

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