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Molecule
Cyphenothrin
CAS: 39515-40-7 · C24H25NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 39515-40-7
- Molecular Formula
- C24H25NO3
- Molecular Mass
- 375.47 g/mol
Identifiers
CAS Registry Number
39515-40-7
SMILES
CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
InChI Key
FJDPATXIBIBRIM-UHFFFAOYSA-N
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
Names and Synonyms
- Cyphenothrin Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, cyano(3-phenoxyphenyl)methyl ester Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester Synonym
- α-Cyano-m-phenoxybenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate Synonym
- SP 2703 Synonym
- Cyphenothrin Synonym
- S 2703 Synonym
- α-Cyano-3-phenoxybenzyl chrysanthemate Synonym
- S 2703 forte Synonym
- Gokilaht Synonym
- Chifenothrine Synonym
- Rarappu MC Synonym
- 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylic acid cyano(3-phenoxyphenyl)methyl ester Synonym
- Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate Synonym
- d-trans-Cyphenothrin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 375.47 g/mol | CAS Common Chemistry |
| 375.4680000000001 g/mol | RDKit | |
| 375.468 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 |
| 59.32 Ų | RDKit | |
| LogP | 5.825180000000005 | RDKit |
| 5.8252 | RDKit | |
| Molar Refractivity | 107.59600000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 375.18344366 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 375.47 g/mol. Edit any field — others recompute live.
