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Molecule
Chlorfenvinphos
CAS: 470-90-6 · C12H14Cl3O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 470-90-6
- Molecular Formula
- C12H14Cl3O4P
- Molecular Mass
- 359.57 g/mol
Identifiers
CAS Registry Number
470-90-6
SMILES
CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl
InChI Key
FSAVDKDHPDSCTO-UHFFFAOYSA-N
InChI
InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3
Names and Synonyms
- Chlorfenvinphos Common Name
- Phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester Synonym
- Phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)vinyl diethyl ester Synonym
- Benzyl alcohol, 2,4-dichloro-α-(chloromethylene)-, diethyl phosphate Synonym
- GC 4072 Synonym
- SD 7859 Synonym
- ENT 24969 Synonym
- Birlane Synonym
- Chlorfenvinfos Synonym
- Chlorfenvinphos Synonym
- 2-Chloro-1-(2,4-dichlorophenyl)vinyl diethyl phosphate Synonym
- Compound 4072 Synonym
- CVP Synonym
- Diethyl 1-(2,4-dichlorophenyl)-2-chlorovinyl phosphate Synonym
- Supona Synonym
- Chlorphenvinfos Synonym
- Chlorphenvinphos Synonym
- OMS 1328 Synonym
- Sapecron Synonym
- Vinyphate Synonym
- Birlan Synonym
- O,O-Diethyl O-[1-(2,4-dichlorophenyl)-2-chlorovinyl] phosphate Synonym
- Sapecron 50EC Synonym
- Birlane 10G Synonym
- Dermaton Synonym
- Diethyl 2-chloro-1-(2,4-dichlorophenyl)vinyl phosphate Synonym
- O,O-Diethyl O-[2-chloro-1-(2,4-dichlorophenyl)vinyl] phosphate Synonym
- 2,4-Dichloro-α-(chloromethylene)benzyldiethyl phosphate Synonym
- CVP (pesticide) Synonym
- Tarene Synonym
- Enolofos Synonym
- Haptasol Synonym
- Zaprawa enolofos Synonym
- Unitox Synonym
- Clofenvinfos Synonym
- Defiance S Synonym
- Quirlan Synonym
- Birlane Z 110 Synonym
- Z 110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 359.57 g/mol | CAS Common Chemistry |
| 359.5730000000001 g/mol | RDKit | |
| 359.573 g/mol | RDKit | |
| 359.564 g/mol | chempirical lib | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.36 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorfenvinphos | CAS Common Chemistry |
| Boiling Point | 167-170 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(OC(=CCl)C1=CC=C(Cl)C=C1Cl)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FSAVDKDHPDSCTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -23--19 °C | CAS Common Chemistry |
| Name | Chlorfenvinphos | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| 44.76 Ų | RDKit | |
| LogP | 5.7283000000000035 | RDKit |
| 5.7283 | RDKit | |
| Molar Refractivity | 82.23550000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 357.969528598 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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120
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40
20
0 ppm
| 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.
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MW = 359.57 g/mol; density = 1.360 g/mL. Edit any field — others recompute live.
