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Bifenthrin

CAT: 0572-TRC-B383000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B383000-100MGSize:100 mg
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CAS Number
82657-04-3
Synonyms
Bifenthrin
Hazard Statement
Fatal if swallowed; UN number: UN3349; Packing Group: II
Purity
>95% (HPLC)
Smiles
Cc1c(COC(=O)[C@H]2[C@@H](\C=C(/Cl)\C(F)(F)F)C2(C)C)cccc1c3ccccc3
Molecular Formula
C23 H22 Cl F3 O2
Molecular Weight
422.87
InChI
InChI=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-/m1/s1
Additionnal Information
IUPAC name: (2-methyl-3-phenylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bifenthrin

Bifenthrin is a carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol. It has a role as a pyrethroid ester insecticide and a pyrethroid ester acaricide. It is an organochlorine compound, an organofluorine compound and a cyclopropanecarboxylate ester. It is functionally related to a cis-chrysanthemic acid.

CAS Number82657-04-3
PubChem CID6442842
IUPAC Nametrans-(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC23H22ClF3O2
Molecular Weight422.9
XLogP6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity622
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl
InChI
InChI=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
InChIKey
OMFRMAHOUUJSGP-IRHGGOMRSA-N
Chemical Structure
2D Structure
2D structure of Bifenthrin
CAS: 82657-04-3
CID: 6442842
Formula: C23H22ClF3O2
MW: 422.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight422.9
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass422.1260421
Monoisotopic Mass422.1260421
Topological Polar Surface Area26.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes