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Molecule
Ethylphosphonic Dichloride
CAS: 1066-50-8 · C2H5Cl2OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1066-50-8
- Molecular Formula
- C2H5Cl2OP
- Molecular Mass
- 146.94 g/mol
Identifiers
CAS Registry Number
1066-50-8
SMILES
CCP(=O)(Cl)Cl
InChI Key
OWGJXSYVHQEVHS-UHFFFAOYSA-N
InChI
InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3
Names and Synonyms
- Ethylphosphonic Dichloride Synonym
- Phosphonic dichloride, P-ethyl- Synonym
- Phosphonic dichloride, ethyl- Synonym
- P-Ethylphosphonic dichloride Synonym
- Ethylphosphonic dichloride Synonym
- Ethanephosphonyl chloride Synonym
- Dichloroethylphosphine oxide Synonym
- Ethylphosphonic acid dichloride Synonym
- Ethylphosphonyl dichloride Synonym
- Ethylphosphonodichloridate Synonym
- 1-Dichlorophosphorylethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.94 g/mol | CAS Common Chemistry |
| 146.941 g/mol | RDKit | |
| 146.935 g/mol | chempirical lib | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.3678 g/cm3 @ 20 °C | 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 |
| 2.677 | RDKit | |
| Molar Refractivity | 29.853499999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.94550676999998 g/mol | RDKit |
| Boiling Point | 174.5 °C @ 28 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 146.94 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
