CHEBI:67116 - 4-nitro-1,2-phenylenediamine

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ChEBI Name 4-nitro-1,2-phenylenediamine
ChEBI ID CHEBI:67116
Definition The primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H7N3O2
Net Charge 0
Average Mass 153.13870
Monoisotopic Mass 153.054
InChI InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
InChIKey RAUWPNXIALNKQM-UHFFFAOYSA-N
SMILES Nc1ccc(cc1N)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 4-nitro-1,2-phenylenediamine (CHEBI:67116) has functional parent 1,2-phenylenediamine (CHEBI:34043)
4-nitro-1,2-phenylenediamine (CHEBI:67116) is a C-nitro compound (CHEBI:35716)
4-nitro-1,2-phenylenediamine (CHEBI:67116) is a primary amino compound (CHEBI:50994)
IUPAC Name
4-nitrobenzene-1,2-diamine
Synonyms Sources
1,2-Diamino-4-nitrobenzene ChemIDplus
2-Amino-4-nitroaniline ChemIDplus
3,4-Diaminonitrobenzene ChemIDplus
4-Nitro-1,2-benzenediamine ChemIDplus
4-Nitro-1,2-diaminobenzene ChemIDplus
4-Nitro-o-phenylenediamine ChemIDplus
p-nitro-o-phenylendiamine ChEBI
p-nitro-o-phenylenediamine ChEBI
Manual Xrefs Databases
C19384 KEGG COMPOUND
KR20080065716 Patent
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Registry Numbers Types Sources
608106 Reaxys Registry Number Reaxys
608106 Beilstein Registry Number ChemIDplus
99-56-9 CAS Registry Number KEGG COMPOUND
99-56-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1650428 PubMed citation Europe PMC
2682235 PubMed citation Europe PMC
Last Modified
28 July 2014