Back to Search
Diethyl Chlorophosphite
CAS: 589-57-1 | C4H10ClO2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
589-57-1
Molecular Formula:
C4H10ClO2P
Molecular Mass:
156.55 g/mol
Names and Synonyms:
Diethyl Chlorophosphite
Phosphorochloridous acid, diethyl ester
Ethyl phosphorochloridite
Diethyl phosphorochloridite
Ethyl chlorophosphite
Ethyl phosphorochloridite, (EtO)2ClP
Diethyl chlorophosphite
Chlorodiethoxyphosphine
Diethyl chlorophosphonite
Diethoxychlorophosphine
Identifiers:
SMILES:
CCOP(Cl)OCC
InChI:
InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
Key Properties
Boiling Point
153 °C
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.08 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 | 156.55 g/mol | CAS Common Chemistry |
| 156.54899999999998 g/mol | RDKit | |
| 156.01069387 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0816 g/cm3 @ Temp: 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 |
| Molar Refractivity | 36.025 | RDKit |
