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Molecule
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
Identifiers
CAS Registry Number
91465-08-6
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 Key
ZXQYGBMAQZUVMI-VGISDWQONA-N
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
Names and Synonyms
- Cyhalothrin Synonym
- 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- Synonym
- Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1α(S*),3α(Z)]-(±)- Synonym
- Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel- Synonym
- Karate Synonym
- PP 321 Synonym
- lambda-Cyhalothrin Synonym
- Cyhalothrin K Synonym
- Icon Synonym
- Karate 1E Synonym
- ICI-A 0321 Synonym
- λ-Cyhalothrin Synonym
- Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)- Synonym
- Karate Z Synonym
- Hallmark Synonym
- Karate King Synonym
- Karate Zeon Synonym
- Kung Fu Synonym
- Warrior Synonym
- Matador Synonym
- Matador (insecticide) Synonym
- Scimitar Synonym
- Demand Synonym
- Warrior T Synonym
- Spectracide Trazicide Synonym
- Spectracide Triazicide Soil & Turf Insect Killer Synonym
- Warrior Zeon Synonym
- Taiga Z Synonym
- Karate K Synonym
- NUP 05077 Synonym
- Lamdex Synonym
- Warrior II Synonym
- A 12871A Synonym
- Demand Pestab Synonym
- ICON Maxx Synonym
- REEVA 5 Synonym
- Karate Zeon 050CS Synonym
- Karate Zeon 100CS Synonym
- Grenade ER Synonym
- Molniya Synonym
- Karate 2.5EC Synonym
- Ambush Super Synonym
- λ-Cialotrina Synonym
- Lamtox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 449.86 g/mol | CAS Common Chemistry |
| 449.856 g/mol | RDKit | |
| 449.853 g/mol | chempirical lib | |
| 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 |
| 59.32 Ų | RDKit | |
| LogP | 6.543980000000004 | RDKit |
| 6.544 | RDKit | |
| Molar Refractivity | 108.15600000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3043 | RDKit |
| 0.3 | chempirical lib | |
| Exact Mass | 449.100555808 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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
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MW = 449.86 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
