CHEBI:4035 - cyhalothrin

ChEBI IDCHEBI:4035
ChEBI Namecyhalothrin
Stars
DefinitionA carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol.
Last Modified28 October 2016
DownloadsMolfile
FormulaC23H19ClF3NO3
Net Charge0
Average Mass449.856
Monoisotopic Mass449.10056
SMILESCC1(C)C(/C=C(\Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-
InChIKeyZXQYGBMAQZUVMI-UNOMPAQXSA-N
Roles Classification
Biological Role:
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
cyhalothrin (CHEBI:4035) has functional parent 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39319)
cyhalothrin (CHEBI:4035) has role agrochemical (CHEBI:33286)
cyhalothrin (CHEBI:4035) has role pyrethroid ester acaricide (CHEBI:39259)
cyhalothrin (CHEBI:4035) has role pyrethroid ester insecticide (CHEBI:39116)
cyhalothrin (CHEBI:4035) is a aromatic ether (CHEBI:35618)
cyhalothrin (CHEBI:4035) is a cyclopropanecarboxylate ester (CHEBI:50351)
cyhalothrin (CHEBI:4035) is a nitrile (CHEBI:18379)
cyhalothrin (CHEBI:4035) is a organochlorine compound (CHEBI:36683)
cyhalothrin (CHEBI:4035) is a organofluorine compound (CHEBI:37143)
Incoming Relation(s)
γ-cyhalothrin (CHEBI:39323) is a cyhalothrin (CHEBI:4035)
λ-cyhalothrin (CHEBI:39325) is a cyhalothrin (CHEBI:4035)
IUPAC Name 
cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Synonyms  Source
3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl esterChemIDplus
CyhalothrinKEGG COMPOUND
Manual XrefsDatabases
C10983KEGG COMPOUND
D07762KEGG DRUG
DE2802962Patent
US4183948Patent
Registry NumbersSources
CAS:68085-85-8KEGG COMPOUND
CAS:68085-85-8ChemIDplus