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CHEBI:35290 - 1,2-dichlorobenzene

Default Structure
ChEBI IDCHEBI:35290
ChEBI Name1,2-dichlorobenzene
Stars
DefinitionA dichlorobenzene carrying chloro substituents at positions 1 and 2.
Secondary ChEBI IDsCHEBI:32498, CHEBI:34045
Last Modified2 September 2015
SubmitterKirill Degtyarenko, Marcus Ennis
DownloadsMolfile
FormulaC6H4Cl2
Net Charge0
Average Mass147.004
Monoisotopic Mass145.96901
SMILESClc1ccccc1Cl
InChIInChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyRFFLAFLAYFXFSW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,2-dichlorobenzene (CHEBI:35290) has role hepatotoxic agent (CHEBI:50908)
1,2-dichlorobenzene (CHEBI:35290) has role metabolite (CHEBI:25212)
1,2-dichlorobenzene (CHEBI:35290) is a dichlorobenzene (CHEBI:23697)
Incoming Relation(s)
3,4-dichloroaniline (CHEBI:16767) has functional parent 1,2-dichlorobenzene (CHEBI:35290)
IUPAC Name 
1,2-dichlorobenzene
Synonyms  Source
1,2-dichlorbenzeneNIST Chemistry WebBook
1,2-DichlorobenzeneKEGG COMPOUND
2-dichlorobenzeneChemIDplus
o-dichlorbenzeneNIST Chemistry WebBook
o-dichlorbenzolNIST Chemistry WebBook
o-dichlorobenzolNIST Chemistry WebBook
Manual XrefsDatabases
1,2-DichlorobenzeneWikipedia
C14328KEGG COMPOUND
O-DICHLOROBENZENEMetaCyc
YANPDBeChem
Registry NumbersSources
Reaxys:606078Reaxys
Beilstein:606078Beilstein
Gmelin:82493Gmelin
CAS:95-50-1KEGG COMPOUND
CAS:95-50-1NIST Chemistry WebBook
CAS:95-50-1ChemIDplus
Citations