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Ethylphosphonic Dichloride
CAS: 1066-50-8 | C2H5Cl2OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1066-50-8
Molecular Formula:
C2H5Cl2OP
Molecular Mass:
146.94 g/mol
Names and Synonyms:
Ethylphosphonic Dichloride
Phosphonic dichloride, P-ethyl-
Phosphonic dichloride, ethyl-
P-Ethylphosphonic dichloride
Ethylphosphonic dichloride
Ethanephosphonyl chloride
Dichloroethylphosphine oxide
Ethylphosphonic acid dichloride
Ethylphosphonyl dichloride
Ethylphosphonodichloridate
1-Dichlorophosphorylethane
Identifiers:
SMILES:
CCP(=O)(Cl)Cl
InChI:
InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3
Key Properties
Boiling Point
174.5 °C @ Press: 28 Torr
CAS Common Chemistry
Density
1.37 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 | 146.94 g/mol | CAS Common Chemistry |
| 146.941 g/mol | RDKit | |
| 145.94550676999998 g/mol | RDKit | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.3678 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 174.5 °C @ Press: 28 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(Cl)(Cl)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OWGJXSYVHQEVHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylphosphonic dichloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.6770000000000014 | RDKit |
| Molar Refractivity | 29.853499999999993 | RDKit |
