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CHEBI:76394 - 2-nitro-p-phenylenediamine

ChEBI IDCHEBI:76394
ChEBI Name2-nitro-p-phenylenediamine
Stars
ASCII Name2-nitro-p-phenylenediamine
DefinitionA primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application).
Last Modified28 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H7N3O2
Net Charge0
Average Mass153.141
Monoisotopic Mass153.05383
SMILESNc1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2
InChIKeyHVHNMNGARPCGGD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-nitro-p-phenylenediamine (CHEBI:76394) has functional parent 1,4-phenylenediamine (CHEBI:51403)
2-nitro-p-phenylenediamine (CHEBI:76394) is a C-nitro compound (CHEBI:35716)
2-nitro-p-phenylenediamine (CHEBI:76394) is a primary amino compound (CHEBI:50994)
IUPAC Name 
2-nitrobenzene-1,4-diamine
Synonyms  Source
2NDBNIST Chemistry WebBook
o-nitro-p-phenylenediamineNIST Chemistry WebBook
2-nitro-4-aminoanilineChemIDplus
1,4-DiaminonitrobenzolChemIDplus
C.I. 76070ChemIDplus
2-nitro-1,4-phenylenediamineChemIDplus
Manual XrefsDatabases
C19385KEGG COMPOUND
Registry NumbersSources
Reaxys:2210195Reaxys
CAS:5307-14-2ChemIDplus
CAS:5307-14-2NIST Chemistry WebBook
CAS:5307-14-2KEGG COMPOUND
Citations