CHEBI:38598 - chlorfenvinfos

ChEBI IDCHEBI:38598
ChEBI Namechlorfenvinfos
Stars
Last Modified22 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H14Cl3O4P
Net Charge0
Average Mass359.573
Monoisotopic Mass357.96953
SMILESCCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3
InChIKeyFSAVDKDHPDSCTO-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
chlorfenvinfos (CHEBI:38598) has role agrochemical (CHEBI:33286)
chlorfenvinfos (CHEBI:38598) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
chlorfenvinfos (CHEBI:38598) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
chlorfenvinfos (CHEBI:38598) is a dichlorobenzene (CHEBI:23697)
chlorfenvinfos (CHEBI:38598) is a organic phosphate (CHEBI:25703)
chlorfenvinfos (CHEBI:38598) is a organochlorine acaricide (CHEBI:38657)
chlorfenvinfos (CHEBI:38598) is a organochlorine insecticide (CHEBI:25705)
chlorfenvinfos (CHEBI:38598) is a organophosphate insecticide (CHEBI:25708)
IUPAC Name 
2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
Synonyms  Source
2,4-dichloro-α-(chloromethylene)benzyl diethyl phosphateNIST Chemistry WebBook
2-chloro-1-(2,4-dichlorophenyl)vinyl diethyl phosphateChemIDplus
chlorfenvinphosChemIDplus
diethyl 1-(2,4-dichlorophenyl)-2-chlorovinyl phosphateChemIDplus
phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl esterChemIDplus
β-2-chloro-1-(2',4'-dichlorophenyl) vinyl diethylphosphateNIST Chemistry WebBook
Manual XrefsDatabases
138VSDB
138PPDB
C18654KEGG COMPOUND
D07722KEGG DRUG
Registry NumbersSources
Beilstein:2338385Beilstein
CAS:470-90-6ChemIDplus
CAS:470-90-6NIST Chemistry WebBook
CAS:470-90-6KEGG COMPOUND