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Molecule
Diphenylphosphinic Acid
CAS: 1707-03-5 · C12H11O2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1707-03-5
- Molecular Formula
- C12H11O2P
- Molecular Mass
- 218.19 g/mol
Identifiers
CAS Registry Number
1707-03-5
SMILES
O=P(O)(c1ccccc1)c1ccccc1
InChI Key
BEQVQKJCLJBTKZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)
Names and Synonyms
- Diphenylphosphinic Acid Common Name
- Phosphinic acid, P,P-diphenyl- Synonym
- Phosphinic acid, diphenyl- Synonym
- P,P-Diphenylphosphinic acid Synonym
- Diphenylphosphinic acid Synonym
- Hydroxydiphenylphosphine oxide Synonym
- NSC 13583 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.19 g/mol | CAS Common Chemistry |
| 218.192 g/mol | RDKit | |
| Boiling Point | 194 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=BEQVQKJCLJBTKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195-196 °C | CAS Common Chemistry |
| Name | Diphenylphosphinic acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9078 | RDKit |
| Molar Refractivity | 61.977300000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 218.049666222 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 = 218.19 g/mol. Edit any field — others recompute live.
