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Molecule
Ethyldiphenylphosphine
CAS: 607-01-2 · C14H15P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 607-01-2
- Molecular Formula
- C14H15P
- Molecular Mass
- 214.25 g/mol
Identifiers
CAS Registry Number
607-01-2
SMILES
CCP(c1ccccc1)c1ccccc1
InChI Key
WUOIAOOSKMHJOV-UHFFFAOYSA-N
InChI
InChI=1S/C14H15P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
Names and Synonyms
- Ethyldiphenylphosphine Common Name
- Phosphine, ethyldiphenyl- Synonym
- Ethyldiphenylphosphine Synonym
- Diphenylethylphosphine Synonym
- Diphenylphosphinoethane Synonym
- NSC 151254 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.25 g/mol | CAS Common Chemistry |
| 214.248 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H15P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WUOIAOOSKMHJOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyldiphenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1392000000000015 | RDKit |
| 3.1392 | RDKit | |
| Molar Refractivity | 69.61300000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 214.09113711 g/mol | RDKit |
| Boiling Point | 182 °C @ 22 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 214.25 g/mol. Edit any field — others recompute live.
