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Molecule
Fenvalerate
CAS: 51630-58-1 · C25H22ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 51630-58-1
- Molecular Formula
- C25H22ClNO3
- Molecular Mass
- 419.91 g/mol
Identifiers
CAS Registry Number
51630-58-1
SMILES
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChI Key
NYPJDWWKZLNGGM-UHFFFAOYSA-N
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
Names and Synonyms
- Fenvalerate Common Name
- WL 43775 Synonym
- Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester Synonym
- S 5602 Synonym
- Sumicidin Synonym
- Fenvalerate Synonym
- Pydrin Synonym
- Phenvalerate Synonym
- Cyano(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate Synonym
- Belmark Synonym
- α-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate Synonym
- Aqmatrine Synonym
- Fenval Synonym
- Ectrin Synonym
- Evercide 2362 Synonym
- Agrofen Synonym
- Fenkill Synonym
- SCS Synonym
- Insectral Synonym
- Furitrothion Synonym
- Fenkem Synonym
- Tribute Synonym
- Sanmarton Synonym
- Phenaxin Synonym
- Phenoxin Synonym
- Fenaxin Synonym
- Fenoxin Synonym
- Vapcocidin Synonym
- Tatafen Synonym
- Valour Synonym
- Hafen Synonym
- Tribute (insecticide) Synonym
- SD 43775 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 419.91 g/mol | CAS Common Chemistry |
| 419.908 g/mol | RDKit | |
| 419.905 g/mol | chempirical lib | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenvalerate | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C(C1=CC=C(Cl)C=C1)C(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NYPJDWWKZLNGGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Fenvalerate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| 59.32 Ų | RDKit | |
| LogP | 6.679980000000006 | RDKit |
| 6.68 | RDKit | |
| Molar Refractivity | 116.43500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 419.128821244 g/mol | RDKit |
| Boiling Point | 300 °C @ 37 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 419.91 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
