CHEBI:76598 - 2-chloro-1,4-phenylenediamine

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ChEBI Name 2-chloro-1,4-phenylenediamine
ChEBI ID CHEBI:76598
Definition A diamine that is 1,4-phenylenediamine substituted at position 2 by a chloro group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H7ClN2
Net Charge 0
Average Mass 142.58600
Monoisotopic Mass 142.02978
InChI InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChIKey MGLZGLAFFOMWPB-UHFFFAOYSA-N
SMILES Nc1ccc(N)c(Cl)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): dye

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ChEBI Ontology
Outgoing 2-chloro-1,4-phenylenediamine (CHEBI:76598) has functional parent 1,4-phenylenediamine (CHEBI:51403)
2-chloro-1,4-phenylenediamine (CHEBI:76598) has role dye (CHEBI:37958)
2-chloro-1,4-phenylenediamine (CHEBI:76598) is a diamine (CHEBI:23666)
2-chloro-1,4-phenylenediamine (CHEBI:76598) is a monochlorobenzenes (CHEBI:83403)
2-chloro-1,4-phenylenediamine (CHEBI:76598) is conjugate base of 2-chloro-1,4-phenylenediaminium (CHEBI:76599)
Incoming 2-chloro-1,4-phenylenediaminium (CHEBI:76599) is conjugate acid of 2-chloro-1,4-phenylenediamine (CHEBI:76598)
IUPAC Name
2-chlorobenzene-1,4-diamine
Synonyms Sources
1,4-Diamino-2-chlorobenzene ChemIDplus
2-Chloro-1,4-benzenediamine ChemIDplus
2-Chloro-1,4-diaminobenzene ChemIDplus
2-Chloro-4-phenylenediamine ChemIDplus
2-Chloro-p-phenylenediamine ChemIDplus
3-Chloro-4-aminoaniline ChemIDplus
o-Chloro-p-phenylenediamine ChemIDplus
Registry Numbers Types Sources
2802557 Reaxys Registry Number Reaxys
615-66-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11683837 PubMed citation Europe PMC
18058049 PubMed citation Europe PMC
6538164 PubMed citation Europe PMC
7273282 PubMed citation Europe PMC
Last Modified
23 October 2014