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Molecule
Methylphosphonyl Dichloride
CAS: 676-97-1 · CH3Cl2OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 676-97-1
- Molecular Formula
- CH3Cl2OP
- Molecular Mass
- 132.91 g/mol
Identifiers
CAS Registry Number
676-97-1
SMILES
CP(=O)(Cl)Cl
InChI Key
SCLFRABIDYGTAZ-UHFFFAOYSA-N
InChI
InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3
Names and Synonyms
- Methylphosphonyl Dichloride Synonym
- Phosphonic dichloride, P-methyl- Synonym
- Phosphonic dichloride, methyl- Synonym
- P-Methylphosphonic dichloride Synonym
- Methanephosphonyl chloride Synonym
- Methylphosphonic dichloride Synonym
- Methylphosphonic acid dichloride Synonym
- Dichloromethylphosphine oxide Synonym
- Methylphosphonyl dichloride Synonym
- Methylphosphonyl chloride Synonym
- Methanephosphonodichloridic acid Synonym
- Methylphosphonodichloridic acid Synonym
- Methanephosphonyl dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.91 g/mol | CAS Common Chemistry |
| 132.91400000000002 g/mol | RDKit | |
| 132.914 g/mol | RDKit | |
| 132.908 g/mol | chempirical lib | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.445 g/cm3 @ 25.3 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylphosphonyl_dichloride | CAS Common Chemistry |
| Canonical SMILES | O=P(Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCLFRABIDYGTAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33 °C | CAS Common Chemistry |
| Name | Methylphosphonic dichloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.2869 | RDKit |
| Molar Refractivity | 25.236499999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 131.92985670599998 g/mol | RDKit |
| Boiling Point | 162 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 132.91 g/mol; density = 1.450 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH3Cl2OP.
