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2-Diphenylphosphinobenzaldehyde
CAS: 50777-76-9 | C19H15OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50777-76-9
Molecular Formula:
C19H15OP
Molecular Mass:
290.30 g/mol
Names and Synonyms:
2-Diphenylphosphinobenzaldehyde
Benzaldehyde, 2-(diphenylphosphino)-
2-(Diphenylphosphino)benzaldehyde
o-(Diphenylphosphino)benzaldehyde
(2-Formylphenyl)diphenylphosphine
2-Diphenylphosphanylbenzaldehyde
Identifiers:
SMILES:
O=Cc1ccccc1P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C19H15OP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H
Key Properties
Melting Point
114-117 °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 | 290.30 g/mol | CAS Common Chemistry |
| 290.302 g/mol | RDKit | |
| 290.08605173 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Diphenylphosphinobenzaldehyde | CAS Common Chemistry |
| Canonical SMILES | O=CC=1C=CC=CC1P(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H15OP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=DRCPJRZHAJMWOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114-117 °C | CAS Common Chemistry |
| Name | 2-(Diphenylphosphino)benzaldehyde | CAS Common Chemistry |
| 2-Diphenylphosphinobenzaldehyde | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.2573000000000016 | RDKit |
| Molar Refractivity | 90.53550000000003 | RDKit |
