tetraphenylphosphanium iodide

• ChemBase ID: 295209
• Molecular Formular: C24H20IP
• Molecular Mass: 466.293831
• Monoisotopic Mass: 466.03473527
• SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C24H20P.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1
• InChIKey: AEFPPQGZJFTXDR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylphosphanium iodide
• IUPAC Traditional name: tetraphenylphosphonium iodide
• Synonyms: Tetraphenylphosphonium iodide; 四苯基碘化磷鎓

Database IDs

• CAS Number: 2065-67-0
• EC Number: 218-179-0
• MDL Number: MFCD00011917
• Beilstein Number: 3922216
• PubChem SID: 180680740
• PubChem CID: 2724164

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0781937
• LogD (pH = 7.4): 6.0781937
• Log P: 6.0781937
• Molar Refractivity: 107.0972 cm^3
• Polarizability: 42.196945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 345-350°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%

REFERENCES

• Has found use as a phase-transfer catalyst (see Appendix 2), more thermally stable than the corresponding bromide or chloride in the presence of base: Tetrahedron Lett., 349 (1979).
• Applications of the Pd-catalyzed cleavage of the P-C bond to organic synthesis have been reported: Chem. Lett., 1101 (1995).