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Cyphenothrin
CAS: 39515-40-7 | C24H25NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39515-40-7
Molecular Formula:
C24H25NO3
Molecular Mass:
375.47 g/mol
Names and Synonyms:
Cyphenothrin
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, cyano(3-phenoxyphenyl)methyl ester
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester
α-Cyano-m-phenoxybenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
SP 2703
Cyphenothrin
S 2703
α-Cyano-3-phenoxybenzyl chrysanthemate
S 2703 forte
Gokilaht
Chifenothrine
Rarappu MC
2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylic acid cyano(3-phenoxyphenyl)methyl ester
Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
d-trans-Cyphenothrin
Identifiers:
SMILES:
CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
InChI:
InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3
Key Properties
Boiling Point
154 °C
CAS Common Chemistry
Melting Point
<25 °C
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 | 375.47 g/mol | CAS Common Chemistry |
| 375.4680000000001 g/mol | RDKit | |
| 375.18344366 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyphenothrin | CAS Common Chemistry |
| Boiling Point | 154 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FJDPATXIBIBRIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Cyphenothrin | 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 | 5.825180000000005 | RDKit |
| Molar Refractivity | 107.59600000000005 | RDKit |
