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Diphenyl-P-Tolylphosphine
CAS: 1031-93-2 | C19H17P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1031-93-2
Molecular Formula:
C19H17P
Molecular Mass:
276.32 g/mol
Names and Synonyms:
Diphenyl-P-Tolylphosphine
Phosphine, (4-methylphenyl)diphenyl-
Phosphine, diphenyl-p-tolyl-
(4-Methylphenyl)diphenylphosphine
Diphenyl-p-tolylphosphine
p-Tolyldiphenylphosphine
Diphenyl-4-tolylphosphine
(4-Methylphenyl)diphenyl phosphine
Diphenyl(4-methylphenyl)phosphine
(4-Methylphenyl)-diphenylphosphane
Identifiers:
SMILES:
Cc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C19H17P/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
Key Properties
Boiling Point
250 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
68-69 °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 | 276.32 g/mol | CAS Common Chemistry |
| 276.3190000000001 g/mol | RDKit | |
| 276.10678717400003 g/mol | RDKit | |
| Boiling Point | 250 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C(C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H17P/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QJIMTLTYXBDJFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68-69 °C | CAS Common Chemistry |
| Name | Diphenyl-p-tolylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.7532200000000024 | RDKit |
| Molar Refractivity | 89.88500000000003 | RDKit |
