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Molecule
Diphenyl-2-Pyridylphosphine
CAS: 37943-90-1 · C17H14NP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 37943-90-1
- Molecular Formula
- C17H14NP
- Molecular Mass
- 263.28 g/mol
Identifiers
CAS Registry Number
37943-90-1
SMILES
c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChI Key
SVABQOITNJTVNJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H
Names and Synonyms
- Diphenyl-2-Pyridylphosphine Synonym
- Pyridine, 2-(diphenylphosphino)- Synonym
- 2-(Diphenylphosphino)pyridine Synonym
- Diphenyl-2-pyridylphosphine Synonym
- 2-Pyridyldiphenylphosphine Synonym
- Diphenyl(2-pyridinyl)phosphine Synonym
- Diphenyl(2-pyridyl)phosphane Synonym
- 2-(Diphenylphosphanyl)pyridine Synonym
- 2-Diphenylphosphanyl-pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.28 g/mol | CAS Common Chemistry |
| 263.28000000000003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyl-2-pyridylphosphine | CAS Common Chemistry |
| Name | 2-(Diphenylphosphino)pyridine | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1P(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=SVABQOITNJTVNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85 °C | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 2.839800000000001 | RDKit |
| 2.8398 | RDKit | |
| 3.04 | chempirical lib | |
| Molar Refractivity | 82.94300000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 263.08638607800003 g/mol | RDKit |
| Boiling Point | 163 °C @ 0.05 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 |
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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 = 263.28 g/mol. Edit any field — others recompute live.
