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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.
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 |
