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Molecule
Diethyl Chlorophosphite
CAS: 589-57-1 · C4H10ClO2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 589-57-1
- Molecular Formula
- C4H10ClO2P
- Molecular Mass
- 156.55 g/mol
Identifiers
CAS Registry Number
589-57-1
SMILES
CCOP(Cl)OCC
InChI Key
TXHWYSOQHNMOOU-UHFFFAOYSA-N
InChI
InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
Names and Synonyms
- Diethyl Chlorophosphite Common Name
- Phosphorochloridous acid, diethyl ester Synonym
- Ethyl phosphorochloridite Synonym
- Diethyl phosphorochloridite Synonym
- Ethyl chlorophosphite Synonym
- Ethyl phosphorochloridite, (EtO)2ClP Synonym
- Diethyl chlorophosphite Synonym
- Chlorodiethoxyphosphine Synonym
- Diethyl chlorophosphonite Synonym
- Diethoxychlorophosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.55 g/mol | CAS Common Chemistry |
| 156.54899999999998 g/mol | RDKit | |
| 156.549 g/mol | RDKit | |
| 156.546 g/mol | chempirical lib | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0816 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 153 °C | CAS Common Chemistry |
| Canonical SMILES | ClP(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TXHWYSOQHNMOOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Diethyl chlorophosphite | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.525100000000001 | RDKit |
| 2.5251 | RDKit | |
| Molar Refractivity | 36.025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.01069387 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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Quick conversion
MW = 156.55 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
