CHEBI:34632 - chlorpyrifos-methyl

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ChEBI Name chlorpyrifos-methyl
Definition An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H7Cl3NO3PS
Net Charge 0
Average Mass 322.53328
Monoisotopic Mass 320.89498
InChI InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
SMILES COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): EC (acetylcholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC, which helps breaking down of acetylcholine into choline and acetic acid.
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
A substance used to destroy pests of the subclass Acari (mites and ticks).
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chlorpyrifos-methyl (CHEBI:34632) has role acaricide (CHEBI:22153)
chlorpyrifos-methyl (CHEBI:34632) has role agrochemical (CHEBI:33286)
chlorpyrifos-methyl (CHEBI:34632) has role EC (acetylcholinesterase) inhibitor (CHEBI:38462)
chlorpyrifos-methyl (CHEBI:34632) has role environmental contaminant (CHEBI:78298)
chlorpyrifos-methyl (CHEBI:34632) has role insecticide (CHEBI:24852)
chlorpyrifos-methyl (CHEBI:34632) has role xenobiotic (CHEBI:35703)
chlorpyrifos-methyl (CHEBI:34632) is a chloropyridine (CHEBI:39173)
chlorpyrifos-methyl (CHEBI:34632) is a organic thiophosphate (CHEBI:37512)
O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate
Synonyms Sources
Chloropyriphos-methyl KEGG COMPOUND
Chlorpyrifos O,O-dimethyl analog ChemIDplus
Chlorpyrifos-methyl KEGG COMPOUND
Methyl chlorpyrifos ChemIDplus
Methyl chlorpyriphos ChemIDplus
O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate ChemIDplus
O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate IUPAC
o,o-Dimethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate NIST Chemistry WebBook
Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester ChemIDplus
Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester ChemIDplus
Trichlormethylfos ChemIDplus
Manual Xrefs Databases
155 PPDB
chlorpyrifos-methyl Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
1541078 Reaxys Registry Number Reaxys
1541078 Beilstein Registry Number Beilstein
5598-13-0 CAS Registry Number KEGG COMPOUND
5598-13-0 CAS Registry Number NIST Chemistry WebBook
5598-13-0 CAS Registry Number ChemIDplus
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag