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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 Mass:
132.91 g/mol
Names and Synonyms:
Phosphorodichloridous Acid, Methyl Ester
Phosphorodichloridous acid, methyl ester
Methyl phosphorodichloridite
Dichloromethoxyphosphine
Methoxyphosphonous dichloride
Methyl dichlorophosphite
Methoxydichlorophosphine
Dichloro methyl phosphite
Methyl dichlorophosphinite
O-Methyl phosphorodichloridite
Identifiers:
SMILES:
COP(Cl)Cl
InChI:
InChI=1S/CH3Cl2OP/c1-4-5(2)3/h1H3
Key Properties
Boiling Point
72-74 °C @ Press: 49 Torr
CAS Common Chemistry
Density
1.40 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.91 g/mol | CAS Common Chemistry |
| 132.914 g/mol | RDKit | |
| 131.92985670599998 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.3995 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 72-74 °C @ Press: 49 Torr | 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 | RDKit |
