pentachlorophenol (CHEBI:17642)

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ChEBI Name	pentachlorophenol

ChEBI ID	CHEBI:17642

Definition	A chlorophenol that is phenol substituted by 5 chloro groups.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:49821, CHEBI:14745, CHEBI:25871, CHEBI:7971

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Formula

C6HCl5O

Net Charge

Average Mass

266.33504

Monoisotopic Mass

263.84700

InChI

InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

InChIKey

IZUPBVBPLAPZRR-UHFFFAOYSA-N

SMILES

Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. fungicide A substance used to destroy fungal pests. (via aromatic fungicide )

Application(s):	fungicide A substance used to destroy fungal pests. (via aromatic fungicide ) pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. (via organochlorine pesticide )

ChEBI Ontology
Outgoing	pentachlorophenol (CHEBI:17642) has functional parent pentachlorobenzene (CHEBI:47136) pentachlorophenol (CHEBI:17642) has role human xenobiotic metabolite (CHEBI:76967) pentachlorophenol (CHEBI:17642) is a aromatic fungicide (CHEBI:87034) pentachlorophenol (CHEBI:17642) is a chlorophenol (CHEBI:23150) pentachlorophenol (CHEBI:17642) is a organochlorine pesticide (CHEBI:38656) pentachlorophenol (CHEBI:17642) is a pentachlorobenzenes (CHEBI:83390) pentachlorophenol (CHEBI:17642) is conjugate acid of pentachlorophenolate (CHEBI:58217)

Incoming	pentachlorophenolate (CHEBI:58217) is conjugate base of pentachlorophenol (CHEBI:17642)

IUPAC Name

pentachlorophenol

Last Modified

26 February 2016