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Molecule
Phosphorodichloridous Acid, Methyl Ester
CAS: 3279-26-3 · CH3Cl2OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3279-26-3
- Molecular Formula
- CH3Cl2OP
- Molecular Mass
- 132.91 g/mol
Identifiers
CAS Registry Number
3279-26-3
SMILES
COP(Cl)Cl
InChI Key
HCSDJECSMANTCX-UHFFFAOYSA-N
InChI
InChI=1S/CH3Cl2OP/c1-4-5(2)3/h1H3
Names and Synonyms
- Phosphorodichloridous Acid, Methyl Ester Systematic Name
- Phosphorodichloridous acid, methyl ester Synonym
- Methyl phosphorodichloridite Synonym
- Dichloromethoxyphosphine Synonym
- Methoxyphosphonous dichloride Synonym
- Methyl dichlorophosphite Synonym
- Methoxydichlorophosphine Synonym
- Dichloro methyl phosphite Synonym
- Methyl dichlorophosphinite Synonym
- O-Methyl phosphorodichloridite Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.91 g/mol | CAS Common Chemistry |
| 132.914 g/mol | RDKit | |
| 132.908 g/mol | chempirical lib | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.3995 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClP(Cl)OC | CAS Common Chemistry |
| InChI | InChI=1S/CH3Cl2OP/c1-4-5(2)3/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HCSDJECSMANTCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphorodichloridous acid, methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.3373 | RDKit |
| Molar Refractivity | 25.634999999999994 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 | 72-74 °C @ 49 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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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
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MW = 132.91 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH3Cl2OP.
