Molecule
Triphenylphosphine
CAS: 603-35-0 · C18H15P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 603-35-0
- Molecular Formula
- C18H15P
- Molecular Mass
- 262.29 g/mol
Identifiers
CAS Registry Number
603-35-0
SMILES
c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI Key
RIOQSEWOXXDEQQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Names and Synonyms
- Triphenylphosphine Synonym
- Phosphine, triphenyl- Synonym
- Triphenylphosphine Synonym
- Triphenylphosphorus Synonym
- Triphenylphosphide Synonym
- PP 360 Synonym
- P 100 Synonym
- P 100 (accelerator) Synonym
- JC 263 Synonym
- Triphenylphosphane Synonym
- TPP Synonym
- NSC 10 Synonym
- NSC 215203 Synonym
- EPCAT-P Synonym
- PP 200 Synonym
- PPh3 Synonym
- Hokko TPP Synonym
- T 0519 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.29 g/mol | CAS Common Chemistry |
| 262.29200000000003 g/mol | RDKit | |
| 262.292 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.075 g/cm3 @ 80 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenylphosphine | CAS Common Chemistry |
| Boiling Point | >360 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=RIOQSEWOXXDEQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80.5 °C | CAS Common Chemistry |
| Name | Triphenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 3.4448000000000016 | RDKit |
| 3.4448 | RDKit | |
| 3.73 | chempirical lib | |
| Molar Refractivity | 85.14800000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 262.09113711000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| 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
Convert
Quick conversion
MW = 262.29 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
