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Molecule
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 Mass
- 78.05 g/mol
Identifiers
CAS Registry Number
7211-39-4
SMILES
C[PH](C)=O
InChI Key
HGDIHUZVQPKSMO-UHFFFAOYSA-N
InChI
InChI=1S/C2H7OP/c1-4(2)3/h4H,1-2H3
Names and Synonyms
- Dimethylphosphine Oxide Synonym
- Phosphine oxide, dimethyl- Synonym
- Dimethylphosphine oxide Synonym
- Dimethylphosphinous acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.05 g/mol | CAS Common Chemistry |
| 78.051 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylphosphine_oxide | CAS Common Chemistry |
| Canonical SMILES | O=P(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7OP/c1-4(2)3/h4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HGDIHUZVQPKSMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphine oxide, dimethyl- | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 0.8056999999999999 | RDKit |
| 0.8057 | RDKit | |
| Molar Refractivity | 20.849499999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 78.023451474 g/mol | RDKit |
| Boiling Point | 65-67 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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
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 = 78.05 g/mol. Edit any field — others recompute live.
