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Dimethylphosphine Oxide
CAS: 7211-39-4 | C2H7OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7211-39-4
Molecular Formula:
C2H7OP
Molecular Weight:
78.051 g/mol
Names and Synonyms:
Dimethylphosphine Oxide
Synonym
Phosphine oxide, dimethyl-
Synonym
Dimethylphosphine oxide
Synonym
Dimethylphosphinous acid
Synonym
Identifiers:
SMILES:
C[PH](C)=O
InChI:
InChI=1S/C2H7OP/c1-4(2)3/h4H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 78.051 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 78.023451474 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.07 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8056999999999999 | RDKit |
| molecular_mass | 78.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylphosphine_oxide None | Legacy Database |
| cas-boiling-point | 65-67 °C @ Press: 6 Torr None | Legacy Database |
| cas-canonical-smile | O=P(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7OP/c1-4(2)3/h4H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HGDIHUZVQPKSMO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Phosphine oxide, dimethyl- None | Legacy Database |
| wikipedia-name | Dimethylphosphine oxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.849499999999995 | RDKit |