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CHEBI:28097 - chlorobenzene

Default Structure
ChEBI IDCHEBI:28097
ChEBI Namechlorobenzene
Stars
DefinitionThe simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine.
Secondary ChEBI IDsCHEBI:3623, CHEBI:23131
Last Modified27 August 2018
DownloadsMolfile
FormulaC6H5Cl
Net Charge0
Average Mass112.559
Monoisotopic Mass112.00798
SMILESClc1ccccc1
InChIInChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyMVPPADPHJFYWMZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
solvent  A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
Application:
solvent  A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
ChEBI Ontology
Outgoing Relation(s)
chlorobenzene (CHEBI:28097) has role solvent (CHEBI:46787)
chlorobenzene (CHEBI:28097) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
chlorobenzene
Synonyms  Source
Benzene chlorideKEGG COMPOUND
ChlorobenzeneKEGG COMPOUND
MonochlorbenzolChemIDplus
MonochlorobenzeneKEGG COMPOUND
PhClChEBI
Phenyl chlorideKEGG COMPOUND
UniProt Name  Source
chlorobenzeneUniProt
Manual XrefsDatabases
8CLPDBeChem
c0105UM-BBD
C06990KEGG COMPOUND
C06990KEGG COMPOUND
ChlorobenzeneWikipedia
CHLOROBENZENEMetaCyc
HMDB0041855HMDB
Registry NumbersSources
Gmelin:26704Gmelin
Reaxys:605632Reaxys
CAS:108-90-7NIST Chemistry WebBook
CAS:108-90-7KEGG COMPOUND
CAS:108-90-7ChemIDplus
Citations