CHEBI:17642 - pentachlorophenol

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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
Supplier Information ChemicalBook:CB4854412, eMolecules:480469, ZINC000005167659
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2-Nitropropane (2-NP) is an organic compound with the formula (CH3)2CH(NO2). It is used as a solvent. It is a colorless liquid and is classified as a nitro compound.
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Formula C6HCl5O
Net Charge 0
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 )
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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
Synonyms Sources
2,3,4,5,6-pentachlorophenol NIST Chemistry WebBook
PCP KEGG COMPOUND
Pentachlorophenol KEGG COMPOUND
PENTACHLOROPHENOL PDBeChem
Manual Xrefs Databases
513 PPDB
C00007496 KNApSAcK
C02575 KEGG COMPOUND
c0326 UM-BBD
HMDB0041974 HMDB
LSM-37108 LINCS
PCI PDBeChem
Pentachlorophenol Wikipedia
PENTACHLOROPHENOL MetaCyc
View more database links
Registry Numbers Types Sources
102794 Gmelin Registry Number Gmelin
1285380 Reaxys Registry Number Reaxys
87-86-5 CAS Registry Number KEGG COMPOUND
87-86-5 CAS Registry Number ChemIDplus
87-86-5 CAS Registry Number NIST Chemistry WebBook
Citations Types Sources
17497895 PubMed citation Europe PMC
23636589 PubMed citation Europe PMC
24123209 PubMed citation Europe PMC
Last Modified
26 February 2016