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Molecule
Dimethylphosphite
CAS: 868-85-9 · C2H7O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 868-85-9
- Molecular Formula
- C2H7O3P
- Molecular Mass
- 110.05 g/mol
Identifiers
CAS Registry Number
868-85-9
SMILES
CO[PH](=O)OC
InChI Key
HZCDANOFLILNSA-UHFFFAOYSA-N
InChI
InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
Names and Synonyms
- Dimethylphosphite Common Name
- Phosphonic acid, dimethyl ester Synonym
- Methyl phosphonate ((MeO)2HPO) Synonym
- Dimethyl hydrogen phosphite Synonym
- Dimethyl phosphonate Synonym
- Dimethoxyphosphine oxide Synonym
- Hydrogen dimethyl phosphite Synonym
- Dimethyl acid phosphite Synonym
- Dimethyl hydrogen phosphonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.05 g/mol | CAS Common Chemistry |
| 110.04899999999999 g/mol | RDKit | |
| 110.049 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.200 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylphosphite | CAS Common Chemistry |
| Canonical SMILES | O=P(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HZCDANOFLILNSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphonic acid, dimethyl ester | CAS Common Chemistry |
| Dimethylphosphite | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.6688999999999998 | RDKit |
| 0.6689 | RDKit | |
| Molar Refractivity | 23.01949999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 110.013280714 g/mol | RDKit |
| Boiling Point | 72-73 °C @ 25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 110.05 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
