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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 Weight:
110.04899999999999 g/mol
Names and Synonyms:
Dimethylphosphite
Dimethyl hydrogen phosphonate
Dimethyl acid phosphite
Hydrogen dimethyl phosphite
Dimethoxyphosphine oxide
Dimethyl phosphonate
Dimethyl hydrogen phosphite
Methyl phosphonate ((MeO)2HPO)
Phosphonic acid, dimethyl ester
Identifiers:
SMILES:
CO[PH](=O)OC
InChI:
InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.04899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.013280714 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6688999999999998 | RDKit |
| molecular_mass | 110.05 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylphosphite None | Legacy Database |
| cas-boiling-point | 72-73 °C @ Press: 25 Torr None | Legacy Database |
| cas-canonical-smile | O=P(OC)OC None | Legacy Database |
| cas-density | 1.200 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HZCDANOFLILNSA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Phosphonic acid, dimethyl ester None | Legacy Database |
| wikipedia-name | Dimethylphosphite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.01949999999999 | RDKit |
