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Molecule
Vinyldiphenylphosphine
CAS: 2155-96-6 · C14H13P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2155-96-6
- Molecular Formula
- C14H13P
- Molecular Mass
- 212.23 g/mol
Identifiers
CAS Registry Number
2155-96-6
SMILES
C=CP(c1ccccc1)c1ccccc1
InChI Key
AJVBXLXLODZUME-UHFFFAOYSA-N
InChI
InChI=1S/C14H13P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H2
Names and Synonyms
- Vinyldiphenylphosphine Synonym
- Phosphine, ethenyldiphenyl- Synonym
- Phosphine, diphenylvinyl- Synonym
- Ethenyldiphenylphosphine Synonym
- Diphenylvinylphosphine Synonym
- Vinyldiphenylphosphine Synonym
- NSC 151257 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.23 g/mol | CAS Common Chemistry |
| 212.232 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyldiphenylphosphine | CAS Common Chemistry |
| Canonical SMILES | C=CP(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H13P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AJVBXLXLODZUME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5-71.5 °C | CAS Common Chemistry |
| Name | Diphenylvinylphosphine | 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 | 3.2628000000000013 | RDKit |
| 3.2628 | RDKit | |
| 3.13 | chempirical lib | |
| Molar Refractivity | 69.26900000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 212.075487046 g/mol | RDKit |
| Boiling Point | 104 °C @ 0.25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 212.23 g/mol. Edit any field — others recompute live.
