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CHEBI:39400 - tralomethrin

ChEBI IDCHEBI:39400
ChEBI Nametralomethrin
Stars
DefinitionA carboxylic ester resulting from the formal condensation between (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydroxy group of (2S)-hydroxy(3-phenoxyphenyl)acetonitrile.
Last Modified25 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H19Br4NO3
Net Charge0
Average Mass665.014
Monoisotopic Mass660.80984
SMILESCC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C(Br)C(Br)(Br)Br
InChIInChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3/t16-,17-,18+,19?/m1/s1
InChIKeyYWSCPYYRJXKUDB-KAKFPZCNSA-N
Wikipedia
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
tralomethrin (CHEBI:39400) has functional parent (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid (CHEBI:39401)
tralomethrin (CHEBI:39400) has role pyrethroid ester insecticide (CHEBI:39116)
tralomethrin (CHEBI:39400) is a aromatic ether (CHEBI:35618)
tralomethrin (CHEBI:39400) is a carboxylic ester (CHEBI:33308)
tralomethrin (CHEBI:39400) is a cyclopropanes (CHEBI:51454)
tralomethrin (CHEBI:39400) is a nitrile (CHEBI:18379)
tralomethrin (CHEBI:39400) is a organobromine compound (CHEBI:37141)
IUPAC Name 
(S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylate
Synonyms  Source
(S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-2,2-dimethyl-3-((RS)-1,2,2,2-tetrabromoethyl)-cyclopropanecarboxylateChemIDplus
[(1R,3S)-3-((1'RS)-1',2',2',2'-tetrabromoethyl)]-2,2-dimethylcyclopropanecarboxylic acid (S)-α-cyano-3-phenoxybenzyl esterChEBI
EPA Pesticide Chemical Code 121501ChemIDplus
tralomethrineChemIDplus
Manual XrefsDatabases
BE873201Patent
US4279835Patent
C18413KEGG COMPOUND
TralomethrinWikipedia
tralomethrinAlan Wood's Pesticides
647PPDB
647VSDB
Registry NumbersSources
Reaxys:8444068Reaxys
CAS:66841-25-6ChemIDplus
CAS:66841-25-6KEGG COMPOUND
Citations