CHEBI:28097 - chlorobenzene

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ChEBI Name chlorobenzene
ChEBI ID CHEBI:28097
Definition The simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3623, CHEBI:23131
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Formula C6H5Cl
Net Charge 0
Average Mass 112.55660
Monoisotopic Mass 112.00798
InChI InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey MVPPADPHJFYWMZ-UHFFFAOYSA-N
SMILES Clc1ccccc1
Roles Classification
Chemical Role(s): solvent
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
Application(s): solvent
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
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ChEBI Ontology
Outgoing chlorobenzene (CHEBI:28097) has role solvent (CHEBI:46787)
chlorobenzene (CHEBI:28097) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
chlorobenzene
Synonyms Sources
Benzene chloride KEGG COMPOUND
Chlorobenzene KEGG COMPOUND
chlorobenzene UniProt
Monochlorbenzol ChemIDplus
Monochlorobenzene KEGG COMPOUND
PhCl ChEBI
Phenyl chloride KEGG COMPOUND
Manual Xrefs Databases
8CL PDBeChem
c0105 UM-BBD
C06990 KEGG COMPOUND
Chlorobenzene Wikipedia
CHLOROBENZENE MetaCyc
HMDB0041855 HMDB
View more database links
Registry Numbers Types Sources
108-90-7 CAS Registry Number KEGG COMPOUND
108-90-7 CAS Registry Number NIST Chemistry WebBook
108-90-7 CAS Registry Number ChemIDplus
26704 Gmelin Registry Number Gmelin
605632 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23360185 PubMed citation Europe PMC
23957149 PubMed citation Europe PMC
24341791 PubMed citation Europe PMC
Last Modified
27 August 2018