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Mevinphos
CAS: 7786-34-7 | C7H13O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7786-34-7
Molecular Formula:
C7H13O6P
Molecular Mass:
224.15 g/mol
Names and Synonyms:
Mevinphos
2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester
Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate
1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate
Meniphos
Phosdrin
Mevinphos
2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate
Fosdrin
O,O-Dimethyl O-(1-carbomethoxy-1-propen-2-yl) phosphate
2-Carbomethoxy-1-methylvinyl dimethyl phosphate
Gesfid
CMDP
PD 5 (pesticide)
PD 5
Phosdrin W 10
NSC 46470
Identifiers:
SMILES:
COC(=O)C=C(C)OP(=O)(OC)OC
InChI:
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
Key Properties
Boiling Point
106-107.5 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
6.9 °C
CAS Common Chemistry
Density
1.25 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 | 224.15 g/mol | CAS Common Chemistry |
| 224.14899999999997 g/mol | RDKit | |
| 224.044974766 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.25 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mevinphos | CAS Common Chemistry |
| Boiling Point | 106-107.5 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=C(OP(=O)(OC)OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GEPDYQSQVLXLEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6.9 °C | CAS Common Chemistry |
| Name | Mevinphos | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 1.4807 | RDKit |
| Molar Refractivity | 48.48250000000003 | RDKit |
