chempirical

4-Nitrosodiphenylamine

C12H10N2OCAS 156-10-5198.23 g/mol

Open in Covalent MOL file
ONNH
Secondary amine

Properties

Molecular formula
C12H10N2O
Molar mass
198.23 g/mol
Exact mass
198.0793 Da
Melting point
144–145 °C
Boiling point
292 °C
Water solubility
< 100 mg/L (21.5 °C)
logP
3.83Crippen estimate
Polar surface area
41.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
156-10-5
SMILES
O=Nc1ccc(Nc2ccccc2)cc1
InChIKey
OIJHFHYPXWSVPF-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H

Weigh it out

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

Names and synonyms

11 names
  • Benzenamine, 4-nitroso-N-phenyl-
  • Diphenylamine, 4-nitroso-
  • 4-Nitroso-N-phenylbenzenamine
  • p-Nitrosodiphenylamine
  • p-Nitroso-N-phenylaniline
  • N-Phenyl-p-nitrosoaniline
  • 4-Nitroso-N-phenylaniline
  • p-Phenylaminonitrosobenzene
  • N-Phenyl-4-nitrosoaniline
  • NSC 5041
  • (4-Nitroso-phenyl)-phenyl-amine

Work with 4-Nitrosodiphenylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Benzeneazodiphenylamine101-75-762 % similar Nitrosobenzene586-96-961 % similar N,N′-Diphenyl-p-phenylenediamine74-31-759 % similar 1,4-Dinitrosobenzene105-12-455 % similar Diphenylamine122-39-455 % similar N,N′-Diphenylbenzidine531-91-952 % similar N-Phenyl-4-biphenylamine32228-99-250 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-750 % similar

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

Same formula

4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde104704-09-8 Solvent yellow 71689-82-3 Nicotinanilide1752-96-1 Phenyl 2-pyridyl ketoxime1826-28-4 2-(2-Aminobenzoyl)pyridine42471-56-7 Azoxybenzene495-48-7 4,5-Phenanthroline monohydrate5144-89-8 N-Nitrosodiphenylamine86-30-6

Elsewhere

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