CHEBI:27757 - 4-chlorobiphenyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-chlorobiphenyl
ChEBI ID CHEBI:27757
Definition A monochlorobiphenyl carrying a chloro substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1805, CHEBI:20336
Supplier Information
Download Molfile XML SDF
Formula C12H9Cl
Net Charge 0
Average Mass 188.65256
Monoisotopic Mass 188.03928
InChI InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey FPWNLURCHDRMHC-UHFFFAOYSA-N
SMILES Clc1ccc(cc1)-c1ccccc1
ChEBI Ontology
Outgoing 4-chlorobiphenyl (CHEBI:27757) is a monochlorobiphenyl (CHEBI:36717)
Incoming 4'-chlorobiphenyl-2,3-diol (CHEBI:28979) has functional parent 4-chlorobiphenyl (CHEBI:27757)
IUPAC Name
4-chloro-1,1'-biphenyl
Synonyms Sources
1-Chloro-4-phenyl benzene KEGG COMPOUND
4-Chlorbiphenyl ChEBI
4-Chlorobiphenyl KEGG COMPOUND
4-chlorodiphenyl NIST Chemistry WebBook
4-Monochloro-biphenyl KEGG COMPOUND
p-chlorobiphenyl NIST Chemistry WebBook
p-chlorodiphenyl NIST Chemistry WebBook
Manual Xrefs Databases
c0177 UM-BBD
C06584 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
131583 Gmelin Registry Number Gmelin
2051-62-9 CAS Registry Number KEGG COMPOUND
2051-62-9 CAS Registry Number ChemIDplus
2051-62-9 CAS Registry Number NIST Chemistry WebBook
774966 Beilstein Registry Number Beilstein
774966 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23137097 PubMed citation Europe PMC
23250224 PubMed citation Europe PMC
24007621 PubMed citation Europe PMC
Last Modified
04 March 2014