CHEBI:76597 - 2-chloro-1,4-phenylenediamine sulfate

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ChEBI Name 2-chloro-1,4-phenylenediamine sulfate
ChEBI ID CHEBI:76597
Definition An arylammonium sulfate salt obtained by combining 2-chloro-1,4-phenylenediamine with one molar equivalent of sulfuric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H9ClN2O4S
Net Charge 0
Average Mass 240.66500
Monoisotopic Mass 239.99716
InChI InChI=1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
InChIKey GQFGHCRXPLROOF-UHFFFAOYSA-N
SMILES OS(O)(=O)=O.Nc1ccc(N)c(Cl)c1
Roles Classification
Application(s): dye

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ChEBI Ontology
Outgoing 2-chloro-1,4-phenylenediamine sulfate (CHEBI:76597) has part 2-chloro-1,4-phenylenediaminium (CHEBI:76599)
2-chloro-1,4-phenylenediamine sulfate (CHEBI:76597) has role dye (CHEBI:37958)
2-chloro-1,4-phenylenediamine sulfate (CHEBI:76597) is a arylammonium sulfate salt (CHEBI:38018)
IUPAC Names
2-chlorobenzene-1,4-diamine sulfate
2-chlorobenzene-1,4-diaminium sulfate
Synonyms Sources
2-Chloro p-phenylenediamine sulphate ChemIDplus
2-Chloro-1,4-benzenediamine sulfate ChemIDplus
2-Chloro-p-phenylenediamine sulfate ChemIDplus
Registry Numbers Types Sources
61702-44-1 CAS Registry Number ChemIDplus
8441373 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12799678 PubMed citation Europe PMC
Last Modified
05 December 2013