3-Nitro-1,2-phenylenediamine

C6H7N3O2CAS 3694-52-8153.14 g/mol

Open in Covalent MOL file
H2NN+OO−H2N
NitroPrimary amine

Properties

Molecular formula
C6H7N3O2
Molar mass
153.14 g/mol
Exact mass
153.0538 Da
Melting point
157–159 °C
logP
0.76Crippen estimate
Polar surface area
95.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
3694-52-8
SMILES
Nc1cccc([N+](=O)[O-])c1N
InChIKey
IOCXBXZBNOYTLQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2

Weigh it out

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

Names and synonyms

9 names
  • 1,2-Benzenediamine, 3-nitro-
  • o-Phenylenediamine, 3-nitro-
  • 3-Nitro-1,2-benzenediamine
  • 3-Nitro-o-phenylenediamine
  • 2-Amino-6-nitroaniline
  • 1,2-Diamino-3-nitrobenzene
  • 2-Amino-3-nitroaniline
  • NSC 84243
  • 3-Nitro-1,2-diaminobenzene

Work with 3-Nitro-1,2-phenylenediamine

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

2,6-Dinitroaniline606-22-478 % similar 2-Nitroaniline88-74-469 % similar 2-Bromo-6-nitrobenzenamine59255-95-766 % similar 2-Methyl-3-nitroaniline603-83-866 % similar 2-Chloro-6-nitrobenzenamine769-11-966 % similar 2-Fluoro-6-nitrobenzenamine17809-36-864 % similar 2-Methyl-6-nitroaniline570-24-164 % similar 2-Amino-3-nitrophenol603-85-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Nitrophenyl)hydrazine100-16-3 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-9 6-Hydrazinonicotinic acid133081-24-0 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-2 N4-Acetylcytosine14631-20-0 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-6 2-Amino-3-methyl-5-nitropyridine18344-51-9 2-Amino-3-nitro-6-picoline21901-29-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook