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ChEBI
> Main
CHEBI:76598 - 2-chloro-1,4-phenylenediamine
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ChEBI Ontology
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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.
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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 (Br
o
nsted acid).
(via
organic amino compound
)
Application
(s):
dye
View more via ChEBI Ontology
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
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