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Phosphorodichloridous Acid, Methyl Ester
CAS: 3279-26-3 | CH3Cl2OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3279-26-3
Molecular Formula:
CH3Cl2OP
Molecular Weight:
132.914 g/mol
Names and Synonyms:
Phosphorodichloridous Acid, Methyl Ester
O-Methyl phosphorodichloridite
Methyl dichlorophosphinite
Dichloro methyl phosphite
Methoxydichlorophosphine
Methyl dichlorophosphite
Methoxyphosphonous dichloride
Dichloromethoxyphosphine
Methyl phosphorodichloridite
Phosphorodichloridous acid, methyl ester
Identifiers:
SMILES:
COP(Cl)Cl
InChI:
InChI=1S/CH3Cl2OP/c1-4-5(2)3/h1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 132.91 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| cas-boiling-point | 72-74 °C @ Press: 49 Torr None | Legacy Database |
| cas-canonical-smile | ClP(Cl)OC None | Legacy Database |
| cas-density | 1.3995 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH3Cl2OP/c1-4-5(2)3/h1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HCSDJECSMANTCX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Phosphorodichloridous acid, methyl ester None | Legacy Database |
| LogP | 2.3373 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.914 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.92985670599998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.634999999999994 | RDKit |
