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Molecule
Ethyl Phosphorodichloridate
CAS: 1498-51-7 · C2H5Cl2O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1498-51-7
- Molecular Formula
- C2H5Cl2O2P
- Molecular Mass
- 162.94 g/mol
Identifiers
CAS Registry Number
1498-51-7
SMILES
CCOP(=O)(Cl)Cl
InChI Key
YZBOZNXACBQJHI-UHFFFAOYSA-N
InChI
InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3
Names and Synonyms
- Ethyl Phosphorodichloridate Common Name
- Phosphorodichloridic acid, ethyl ester Synonym
- Ethyl phosphorodichloridate Synonym
- Ethyl chlorophosphate, (EtO)Cl2PO Synonym
- Ethylphosphoric acid dichloride Synonym
- Dichloroethoxyphosphine oxide Synonym
- Ethyl dichlorophosphinate Synonym
- Ethyl dichlorophosphate Synonym
- Ethyl phosphoryl dichloride Synonym
- Ethoxyphosphoryl dichloride Synonym
- NSC 87531 Synonym
- 1-Dichlorophosphoryloxyethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.94 g/mol | CAS Common Chemistry |
| 162.934 g/mol | chempirical lib | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.35 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Canonical SMILES | O=P(Cl)(Cl)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZBOZNXACBQJHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -42.5 °C | CAS Common Chemistry |
| Name | Ethyl phosphorodichloridate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.608600000000001 | RDKit |
| 2.6086 | RDKit | |
| Molar Refractivity | 30.938499999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 161.94042139 g/mol | RDKit |
| Boiling Point | 96-104 °C @ 0.2-0.8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 162.94 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
