CHEBI:76394 - 2-nitro-p-phenylenediamine

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ChEBI Name 2-nitro-p-phenylenediamine
ChEBI ID CHEBI:76394
ChEBI ASCII Name 2-nitro-p-phenylenediamine
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H7N3O2
Net Charge 0
Average Mass 153.13870
Monoisotopic Mass 153.05383
InChI InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2
InChIKey HVHNMNGARPCGGD-UHFFFAOYSA-N
SMILES Nc1ccc(N)c(c1)[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 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 Sources
1,4-diamino-2-nitrobenzene ChemIDplus
1,4-Diaminonitrobenzol ChemIDplus
2,5-diaminonitrobenzene ChemIDplus
2-nitro-1,4-benzenediamine ChemIDplus
2-nitro-1,4-diaminobenzene ChemIDplus
2-nitro-1,4-phenylenediamine ChemIDplus
2-nitro-4-aminoaniline ChemIDplus
2-nitro-4-phenylenediamine ChemIDplus
2-NPPD NIST Chemistry WebBook
2NDB NIST Chemistry WebBook
4-amino-2-nitroaniline NIST Chemistry WebBook
C.I. 76070 ChemIDplus
CI 76070 ChemIDplus
nitro-p-phenylenediamine NIST Chemistry WebBook
o-nitro-p-phenylenediamine NIST Chemistry WebBook
Manual Xref Database
C19385 KEGG COMPOUND
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Registry Numbers Types Sources
2210195 Reaxys Registry Number Reaxys
5307-14-2 CAS Registry Number NIST Chemistry WebBook
5307-14-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10873714 PubMed citation Europe PMC
12799694 PubMed citation Europe PMC
19469988 PubMed citation Europe PMC
2049801 PubMed citation Europe PMC
3594688 PubMed citation Europe PMC
520983 PubMed citation Europe PMC
6827626 PubMed citation Europe PMC
7327475 PubMed citation Europe PMC
7330774 PubMed citation Europe PMC
9465934 PubMed citation Europe PMC
Last Modified
28 July 2014