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CHEBI:87579 - κ-bifenthrin

ChEBI IDCHEBI:87579
ChEBI Nameκ-bifenthrin
Stars
ASCII Namekappa-bifenthrin
DefinitionA carboxylic ester obtained by formal condensation of the carboxy group of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of [(2-methyl-1,1'-biphenyl)-3-yl]methanol.
Last Modified19 September 2018
SubmitterSteve
DownloadsMolfile
FormulaC23H22ClF3O2
Net Charge0
Average Mass422.874
Monoisotopic Mass422.12604
SMILESCc1c(COC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1
InChIInChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1
InChIKeyOMFRMAHOUUJSGP-IRHGGOMRSA-N
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
κ-bifenthrin (CHEBI:87579) has role pyrethroid ester insecticide (CHEBI:39116)
κ-bifenthrin (CHEBI:87579) is a carboxylic ester (CHEBI:33308)
κ-bifenthrin (CHEBI:87579) is a cyclopropanes (CHEBI:51454)
κ-bifenthrin (CHEBI:87579) is a organochlorine compound (CHEBI:36683)
κ-bifenthrin (CHEBI:87579) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(2-methyl-[1,1'-biphenyl]-3-yl)methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Synonyms  Source
(+)-(1R)-cis-BifenthrinChemIDplus
(1R)-cis-BifenthrinChemIDplus
kappa-BifenthrinChemIDplus
kappa-BifenthrineChemIDplus
(R)-BifenthrinChemIDplus
Manual XrefsDatabases
3089PPDB
kappa-bifenthrinAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11182954Reaxys
CAS:439680-76-9ChemIDplus