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Diphenylphosphinic Acid
CAS: 1707-03-5 | C12H11O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1707-03-5
Molecular Formula:
C12H11O2P
Molecular Mass:
218.19 g/mol
Names and Synonyms:
Diphenylphosphinic Acid
Phosphinic acid, P,P-diphenyl-
Phosphinic acid, diphenyl-
P,P-Diphenylphosphinic acid
Diphenylphosphinic acid
Hydroxydiphenylphosphine oxide
NSC 13583
Identifiers:
SMILES:
O=P(O)(c1ccccc1)c1ccccc1
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)
Key Properties
Boiling Point
194 °C
CAS Common Chemistry
Melting Point
195-196 °C
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 | 218.19 g/mol | CAS Common Chemistry |
| 218.192 g/mol | RDKit | |
| 218.049666222 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 | RDKit |
