Back to Search
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 Weight:
146.941 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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.941 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.94550676999998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | 17.07 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.6770000000000014 | RDKit |
| molecular_mass | 146.94 g/mol | Legacy Database |
| density | 1.37 g/cm³ | Legacy Database |
| cas-boiling-point | 174.5 °C @ Press: 28 Torr None | Legacy Database |
| cas-density | 1.3678 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OWGJXSYVHQEVHS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethylphosphonic dichloride None | Legacy Database |
| cas-canonical-smile | O=P(Cl)(Cl)CC None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.853499999999993 | RDKit |
