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CHEBI:147298 - 2,6-dichlorobenzoquinone

ChEBI IDCHEBI:147298
ChEBI Name2,6-dichlorobenzoquinone
Stars
DefinitionA member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines. A highly toxic and carcinogenic disinfection by-product found in drinking water.
Last Modified24 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H2Cl2O2
Net Charge0
Average Mass176.986
Monoisotopic Mass175.94318
SMILESO=C1C=C(Cl)C(=O)C(Cl)=C1
InChIInChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKeyJCARTGJGWCGSSU-UHFFFAOYSA-N
Roles Classification
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
poison  Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism.
ChEBI Ontology
Outgoing Relation(s)
2,6-dichlorobenzoquinone (CHEBI:147298) has role carcinogenic agent (CHEBI:50903)
2,6-dichlorobenzoquinone (CHEBI:147298) has role poison (CHEBI:64909)
2,6-dichlorobenzoquinone (CHEBI:147298) is a 1,4-benzoquinones (CHEBI:132124)
2,6-dichlorobenzoquinone (CHEBI:147298) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
2,6-dichlorocyclohexa-2,5-diene-1,4-dione
Synonyms  Source
2,6-DCBQChEBI
2,6-dichloquinoneChemIDplus
2,6-dichloro-1,4-benzoquinoneChemIDplus
2,6-dichloro-2,5-cyclohexadiene-1,4-dioneChemIDplus
2,6-dichloro-p-benzoquinoneChemIDplus
2,6-dichloroquinoneChemIDplus
UniProt Name  Source
2,6-dichlorobenzoquinoneUniProt
Manual XrefsDatabases
CPD-22339MetaCyc
Registry NumbersSources
CAS:697-91-6NIST Chemistry WebBook
CAS:697-91-6ChemIDplus
Citations