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CHEBI:147298 - 2,6-dichlorobenzoquinone

Default Structure
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member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines.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:
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.
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.
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