Back to Search
Molecule
Methyl Dichlorophosphate
CAS: 677-24-7 · CH3Cl2O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 677-24-7
- Molecular Formula
- CH3Cl2O2P
- Molecular Mass
- 148.91 g/mol
Identifiers
CAS Registry Number
677-24-7
SMILES
COP(=O)(Cl)Cl
InChI Key
SNVCRNWSNUUGEA-UHFFFAOYSA-N
InChI
InChI=1S/CH3Cl2O2P/c1-5-6(2,3)4/h1H3
Names and Synonyms
- Methyl Dichlorophosphate Synonym
- Phosphorodichloridic acid, methyl ester Synonym
- Methyl phosphorodichloridate Synonym
- Dichloromethoxyphosphine oxide Synonym
- Methoxyphosphoryl dichloride Synonym
- Methyl dichlorophosphate Synonym
- Methyl dichlorophosphinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.91 g/mol | CAS Common Chemistry |
| 148.913 g/mol | RDKit | |
| 148.907 g/mol | chempirical lib | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.4878 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Canonical SMILES | O=P(Cl)(Cl)OC | CAS Common Chemistry |
| InChI | InChI=1S/CH3Cl2O2P/c1-5-6(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SNVCRNWSNUUGEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -59 °C | CAS Common Chemistry |
| Name | Methyl dichlorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.2184999999999997 | RDKit |
| 2.2185 | RDKit | |
| Molar Refractivity | 26.321499999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 147.924771326 g/mol | RDKit |
| Boiling Point | 59.5 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 148.91 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
