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Cyhalothrin
CAS: 91465-08-6 | C23H19ClF3NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91465-08-6
Molecular Formula:
C23H19ClF3NO3
Molecular Mass:
449.86 g/mol
Names and Synonyms:
Cyhalothrin
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1α(S*),3α(Z)]-(±)-
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-
Karate
PP 321
lambda-Cyhalothrin
Cyhalothrin K
Icon
Karate 1E
ICI-A 0321
λ-Cyhalothrin
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-
Karate Z
Hallmark
Karate King
Karate Zeon
Kung Fu
Warrior
Matador
Matador (insecticide)
Scimitar
Demand
Warrior T
Spectracide Trazicide
Spectracide Triazicide Soil & Turf Insect Killer
Warrior Zeon
Taiga Z
Karate K
NUP 05077
Lamdex
Warrior II
A 12871A
Demand Pestab
ICON Maxx
REEVA 5
Karate Zeon 050CS
Karate Zeon 100CS
Grenade ER
Molniya
Karate 2.5EC
Ambush Super
λ-Cialotrina
Lamtox
Identifiers:
SMILES:
CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1/C=C(Cl)C(F)(F)F
InChI:
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/s2
Key Properties
Melting Point
49.2 °C
CAS Common Chemistry
Density
1.30 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 449.86 g/mol | CAS Common Chemistry |
| 449.856 g/mol | RDKit | |
| 449.100555808 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyhalothrin | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(Cl)C(F)(F)F)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXQYGBMAQZUVMI-VGISDWQONA-N | CAS Common Chemistry |
| Melting Point | 49.2 °C | CAS Common Chemistry |
| Name | λ-Cyhalothrin | CAS Common Chemistry |
| Cyhalothrin | CAS Common Chemistry | |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| LogP | 6.543980000000004 | RDKit |
| Molar Refractivity | 108.15600000000006 | RDKit |
