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Molecule
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
Identifiers
CAS Registry Number
7786-34-7
SMILES
COC(=O)C=C(C)OP(=O)(OC)OC
InChI Key
GEPDYQSQVLXLEU-UHFFFAOYSA-N
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
Names and Synonyms
- Mevinphos Common Name
- 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester Synonym
- Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate Synonym
- 1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate Synonym
- Meniphos Synonym
- Phosdrin Synonym
- Mevinphos Synonym
- 2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate Synonym
- Fosdrin Synonym
- O,O-Dimethyl O-(1-carbomethoxy-1-propen-2-yl) phosphate Synonym
- 2-Carbomethoxy-1-methylvinyl dimethyl phosphate Synonym
- Gesfid Synonym
- CMDP Synonym
- PD 5 (pesticide) Synonym
- PD 5 Synonym
- Phosdrin W 10 Synonym
- NSC 46470 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.15 g/mol | CAS Common Chemistry |
| 224.14899999999997 g/mol | RDKit | |
| 224.149 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.25 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mevinphos | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 224.044974766 g/mol | RDKit |
| Boiling Point | 106-107.5 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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Quick conversion
MW = 224.15 g/mol; density = 1.250 g/mL. Edit any field — others recompute live.
