CHEBI:28520 - 2,4,5-trichlorophenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,4,5-trichlorophenol
ChEBI ID CHEBI:28520
Definition A trichlorophenol carrying chloro groups at positions 2, 4 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49904, CHEBI:896, CHEBI:19330
Supplier Information
Download Molfile XML SDF
Formula C6H3Cl3O
Net Charge 0
Average Mass 197.44552
Monoisotopic Mass 195.925
InChI InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey LHJGJYXLEPZJPM-UHFFFAOYSA-N
SMILES Oc1cc(Cl)c(Cl)cc1Cl
ChEBI Ontology
Outgoing 2,4,5-trichlorophenol (CHEBI:28520) is a trichlorophenol (CHEBI:27102)
IUPAC Name
2,4,5-trichlorophenol
Synonyms Sources
2,4,5-TCP ChemIDplus
2,4,5-Trichlorophenol KEGG COMPOUND
Manual Xrefs Databases
963 PPDB
c0362 UM-BBD
C07101 KEGG COMPOUND
TC7 PDBeChem
View more database links
Registry Numbers Types Sources
102425 Gmelin Registry Number Gmelin
607569 Beilstein Registry Number Beilstein
607569 Reaxys Registry Number Reaxys
95-95-4 CAS Registry Number KEGG COMPOUND
95-95-4 CAS Registry Number ChemIDplus
95-95-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24078273 PubMed citation Europe PMC
24361703 PubMed citation Europe PMC
24410196 PubMed citation Europe PMC
Last Modified
12 September 2018
General Comment
2014-03-05 It is occasionally found in urine of humans exposed to organochlorine compounds.