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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H7N3O2 Net Charge 0 Average Mass 153.13870 Monoisotopic Mass 153.05383 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 ) View more via ChEBI Ontology 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 View more database links Registry Numbers Types Sources 608106 Reaxys Registry Number Reaxys 99-56-9 CAS Registry Number KEGG COMPOUND 99-56-9 CAS Registry Number ChemIDplus Citations Types Sources 1650428 PubMed citation Europe PMC 2682235 PubMed citation Europe PMC Last Modified 28 July 2014