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Chlorfenvinphos
CAS: 470-90-6 | C12H14Cl3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
470-90-6
Molecular Formula:
C12H14Cl3O4P
Molecular Mass:
359.57 g/mol
Names and Synonyms:
Chlorfenvinphos
Phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester
Phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)vinyl diethyl ester
Benzyl alcohol, 2,4-dichloro-α-(chloromethylene)-, diethyl phosphate
GC 4072
SD 7859
ENT 24969
Birlane
Chlorfenvinfos
Chlorfenvinphos
2-Chloro-1-(2,4-dichlorophenyl)vinyl diethyl phosphate
Compound 4072
CVP
Diethyl 1-(2,4-dichlorophenyl)-2-chlorovinyl phosphate
Supona
Chlorphenvinfos
Chlorphenvinphos
OMS 1328
Sapecron
Vinyphate
Birlan
O,O-Diethyl O-[1-(2,4-dichlorophenyl)-2-chlorovinyl] phosphate
Sapecron 50EC
Birlane 10G
Dermaton
Diethyl 2-chloro-1-(2,4-dichlorophenyl)vinyl phosphate
O,O-Diethyl O-[2-chloro-1-(2,4-dichlorophenyl)vinyl] phosphate
2,4-Dichloro-α-(chloromethylene)benzyldiethyl phosphate
CVP (pesticide)
Tarene
Enolofos
Haptasol
Zaprawa enolofos
Unitox
Clofenvinfos
Defiance S
Quirlan
Birlane Z 110
Z 110
Identifiers:
SMILES:
CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl
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
Key Properties
Boiling Point
167-170 °C
CAS Common Chemistry
Melting Point
-23--19 °C
CAS Common Chemistry
Density
1.36 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 | 359.57 g/mol | CAS Common Chemistry |
| 359.5730000000001 g/mol | RDKit | |
| 357.969528598 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.36 g/cm3 @ Temp: 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 |
| LogP | 5.7283000000000035 | RDKit |
| Molar Refractivity | 82.23550000000003 | RDKit |
