Back to Search
Α-Cypermethrin
CAS: 67375-30-8 | C22H19Cl2NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67375-30-8
Molecular Formula:
C22H19Cl2NO3
Molecular Mass:
416.30 g/mol
Names and Synonyms:
Α-Cypermethrin
WL 85871
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-
Alfoxylate
Fastac
Alphamethrin
Alphacypermethrin
α-Cypermethrin
Bestox
(±)-Alphamethrin
Cismix
Aeralfam
Ultimate
Dominex
Mageos
Contest
Fendona
Alfazot
Fastac Duo
Centaur
Alphaguard
Fendona 65C
Fastac 10EC
Sentry (insecticide)
Sentry
BAS 310
Fastac CS
Dudu Alpha
Fastac 100EC
Fendona 60SC
Astound Duo
Identifiers:
SMILES:
CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl
InChI:
InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/s2
Key Properties
Boiling Point
200 °C @ Press: 0.07 Torr
CAS Common Chemistry
Melting Point
78-81 °C
CAS Common Chemistry
Density
1.28 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 | 416.30 g/mol | CAS Common Chemistry |
| 416.304 g/mol | RDKit | |
| 415.074198828 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.28 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 200 °C @ Press: 0.07 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=KAATUXNTWXVJKI-HRWAADTPNA-N | CAS Common Chemistry |
| Melting Point | 78-81 °C | CAS Common Chemistry |
| Name | α-Cypermethrin | CAS Common Chemistry |
| Heavy Atom Count | 28 | 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 | 6.177980000000003 | RDKit |
| Molar Refractivity | 107.95400000000005 | RDKit |
