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Dimethylphosphite
CAS: 868-85-9 | C2H7O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
868-85-9
Molecular Formula:
C2H7O3P
Molecular Mass:
110.05 g/mol
Names and Synonyms:
Dimethylphosphite
Phosphonic acid, dimethyl ester
Methyl phosphonate ((MeO)2HPO)
Dimethyl hydrogen phosphite
Dimethyl phosphonate
Dimethoxyphosphine oxide
Hydrogen dimethyl phosphite
Dimethyl acid phosphite
Dimethyl hydrogen phosphonate
Identifiers:
SMILES:
CO[PH](=O)OC
InChI:
InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
Key Properties
Boiling Point
72-73 °C @ Press: 25 Torr
CAS Common Chemistry
Density
1.20 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 | 110.05 g/mol | CAS Common Chemistry |
| 110.04899999999999 g/mol | RDKit | |
| 110.013280714 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.200 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylphosphite | CAS Common Chemistry |
| Boiling Point | 72-73 °C @ Press: 25 Torr | 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 |
| Molar Refractivity | 23.01949999999999 | RDKit |
