triphenyl[(trimethylsilyl)methyl]phosphanium iodide

• ChemBase ID: 301870
• Molecular Formular: C22H26IPSi
• Molecular Mass: 476.405571
• Monoisotopic Mass: 476.05861199
• SMILES: C[Si](C)(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: C[Si](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.[I-]
• InChI: InChI=1S/C22H26PSi.HI/c1-24(2,3)19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
• InChIKey: PPORXBBMZZFXTB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[(trimethylsilyl)methyl]phosphanium iodide
• IUPAC Traditional name: triphenyl[(trimethylsilyl)methyl]phosphanium iodide
• Synonyms: (Trimethylsilylmethyl)triphenylphosphonium iodide; 三甲基硅基甲基三苯基碘化磷

Database IDs

• CAS Number: 3739-98-8
• MDL Number: MFCD00051853
• Beilstein Number: 4070136

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.4177
• LogD (pH = 7.4): 7.4177
• Log P: 7.4177
• Molar Refractivity: 102.5925 cm^3
• Polarizability: 42.875137 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ca 185°C dec.

Safety Information

• Storage Warning: Moisture & 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

• Forms ylide with n-BuLi: J. Am. Chem. Soc., 87. 4156 (1965). For use in the Wittig reaction, see: Angew. Chem. Int. Ed., 12, 321 (1973).