CHEBI:28755 - 2,4,6-trichlorophenol

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ChEBI Name 2,4,6-trichlorophenol
ChEBI ID CHEBI:28755
Definition A trichlorophenol with phenolic substituents on positions 2, 4 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:898, CHEBI:19334
Supplier Information ChemicalBook:CB3854536, eMolecules:501302, ZINC000000391974
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2,4,6-Trichlorophenol, also known as TCP, phenaclor, Dowicide 2S, Dowcide 2S, omal, is a chlorinated phenol that has been used as a fungicide, herbicide, insecticide, antiseptic, defoliant, and glue preservative. It is a clear to yellowish crystalline solid with a strong, phenolic odor. It decomposes on heating to produce toxic and corrosive fumes including hydrogen chloride and chlorine.
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Formulae C6H3Cl3O
C6H3Cl3O
Net Charge 0
Average Mass 197.44600
Monoisotopic Mass 195.92495
InChI InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey LINPIYWFGCPVIE-UHFFFAOYSA-N
SMILES Oc1c(Cl)cc(Cl)cc1Cl
Roles Classification
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
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ChEBI Ontology
Outgoing 2,4,6-trichlorophenol (CHEBI:28755) has role carcinogenic agent (CHEBI:50903)
2,4,6-trichlorophenol (CHEBI:28755) is a trichlorophenol (CHEBI:27102)
2,4,6-trichlorophenol (CHEBI:28755) is conjugate acid of 2,4,6-trichlorophenolate (CHEBI:140426)
Incoming 2,4,6-trichlorophenolate (CHEBI:140426) is conjugate base of 2,4,6-trichlorophenol (CHEBI:28755)
IUPAC Name
2,4,6-trichlorophenol
Synonyms Sources
1,3,5-Trichloro-2-hydroxybenzene NIST Chemistry WebBook
2,4,6-TCP UM-BBD
2,4,6-Trichlorophenol KEGG COMPOUND
Manual Xrefs Databases
2,4,6-Trichlorophenol Wikipedia
c0330 UM-BBD
C07098 KEGG COMPOUND
T6C PDBeChem
TRICHLOROPHENOL MetaCyc
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Registry Numbers Types Sources
3766 Gmelin Registry Number Gmelin
776729 Reaxys Registry Number Reaxys
88-06-2 CAS Registry Number KEGG COMPOUND
88-06-2 CAS Registry Number ChemIDplus
88-06-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations
Last Modified
15 March 2018
General Comment
2014-01-30 Found in urine samples of humans exposed to organochlorine compounds.