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Bifenthrin

CAS: 82657-04-3 | C23H22ClF3O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 82657-04-3
Molecular Formula: C23H22ClF3O2
Molecular Weight: 422.8740000000001 g/mol

Names and Synonyms:

Bifenthrin
Talstar EZ
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2-methyl[1,1′-biphenyl]-3-yl)methyl ester, (1R,3R)-rel-
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2-methyl[1,1′-biphenyl]-3-yl)methyl ester, [1α,3α(Z)]-(±)-
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2-methyl[1,1′-biphenyl]-3-yl)methyl ester, (1R,3R)-rel-
FMC 54800
Biphenthrin
Bifenthrin
Biphentrin
Talstar
Brigade
Capture
Capture (pesticide)
Biflex FT
Biflex
Brigade 10WP
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2-methyl[1,1′-biphenyl]-3-yl)methyl ester, [1α,3α(Z)]-
Brigata Flo
Bifenthrine
Biphenate
TalstarOne
Semafor
Kiros EV
Empower
Discipline
Onyx
Onyx (insecticide)
Silencer
Fanfare
AGST 02002
Capture LFR
Seizer
Bixan MG
DeterMite
Bifenture
Bixan
Sniper (pyrethroid insecticide)
(±)-Bifenthrin
rac-Bifenthrin
Talstar F
Gold insecticide
UP Star gold insecticide
UP Star Gold insecticide
Akate Master
Sniper
Talstar Pro
Gyro
Capture 2EC

Identifiers:

SMILES:
Cc1c(COC(=O)[C@@H]2[C@H](/C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1
InChI:
InChI=1/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-/s2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 422.87 g/mol Legacy Database
density 1.21 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Bifenthrin None Legacy Database
cas-canonical-smile O=C(OCC1=CC=CC(C=2C=CC=CC2)=C1C)C3C(C=C(Cl)C(F)(F)F)C3(C)C None Legacy Database
cas-density 1.212 g/cm3 @ Temp: 25 °C None Legacy Database
cas-inchi InChI=1/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-/s2 None Legacy Database
cas-inchi-key InChIKey=OMFRMAHOUUJSGP-KLUXTTGUNA-N None Legacy Database
cas-melting-point 69 °C None Legacy Database
cas-name Bifenthrin None Legacy Database
wikipedia-name Bifenthrin None Legacy Database
LogP 6.662420000000005 RDKit

Molecular

Property Value Source
Molecular Weight 422.8740000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 422.126042284 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 29 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 5 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 26.3 Ų RDKit

Molar

Property Value Source
Molar Refractivity 107.16300000000001 RDKit

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