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Molecule
Diphenyl-P-Tolylphosphine
CAS: 1031-93-2 · C19H17P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1031-93-2
- Molecular Formula
- C19H17P
- Molecular Mass
- 276.32 g/mol
Identifiers
CAS Registry Number
1031-93-2
SMILES
Cc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI Key
QJIMTLTYXBDJFC-UHFFFAOYSA-N
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
Names and Synonyms
- Diphenyl-P-Tolylphosphine Synonym
- Phosphine, (4-methylphenyl)diphenyl- Synonym
- Phosphine, diphenyl-p-tolyl- Synonym
- (4-Methylphenyl)diphenylphosphine Synonym
- Diphenyl-p-tolylphosphine Synonym
- p-Tolyldiphenylphosphine Synonym
- Diphenyl-4-tolylphosphine Synonym
- (4-Methylphenyl)diphenyl phosphine Synonym
- Diphenyl(4-methylphenyl)phosphine Synonym
- (4-Methylphenyl)-diphenylphosphane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.32 g/mol | CAS Common Chemistry |
| 276.3190000000001 g/mol | RDKit | |
| 276.319 g/mol | RDKit | |
| 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 |
| 3.7532 | RDKit | |
| 4.12 | chempirical lib | |
| Molar Refractivity | 89.88500000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 276.10678717400003 g/mol | RDKit |
| Boiling Point | 250 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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 = 276.32 g/mol. Edit any field — others recompute live.
