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Molecule
Diethylphosphite
CAS: 762-04-9 · C4H11O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 762-04-9
- Molecular Formula
- C4H11O3P
- Molecular Mass
- 138.10 g/mol
Identifiers
CAS Registry Number
762-04-9
SMILES
CCO[PH](=O)OCC
InChI Key
MJUJXFBTEFXVKU-UHFFFAOYSA-N
InChI
InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3
Names and Synonyms
- Diethylphosphite Common Name
- Phosphonic acid, diethyl ester Synonym
- Ethyl phosphite, (EtO)2(HO)P Synonym
- Diethyl phosphite Synonym
- Diethyl hydrogen phosphite Synonym
- Diethyl phosphonate Synonym
- Hydrogen diethyl phosphite Synonym
- Diethyl acid phosphite Synonym
- Diethoxyphosphine oxide Synonym
- NSC 2665 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.10 g/mol | CAS Common Chemistry |
| 138.10299999999998 g/mol | RDKit | |
| 138.103 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.072 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylphosphite | CAS Common Chemistry |
| Boiling Point | 138 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MJUJXFBTEFXVKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Diethyl phosphite | CAS Common Chemistry |
| Diethylphosphite | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.4490999999999998 | RDKit |
| 1.4491 | RDKit | |
| 1.36 | chempirical lib | |
| Molar Refractivity | 32.25349999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 138.04458084200002 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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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 = 138.10 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
