triphenylsilanol

• ChemBase ID: 146175
• Molecular Formular: C18H16OSi
• Molecular Mass: 276.40454
• Monoisotopic Mass: 276.09704166
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O
• Canonical SMILES: O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
• InChIKey: NLSXASIDNWDYMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylsilanol
• IUPAC Traditional name: triphenylsilanol
• Synonyms: Hydroxytriphenylsilane; Triphenylsilanol; Triphenylsilanol; 羟基三苯基硅烷; 三苯基硅醇

Database IDs

• CAS Number: 791-31-1
• EC Number: 212-339-3
• MDL Number: MFCD00002102
• Beilstein Number: 985007
• PubChem SID: 24880244; 24848606; 162240374
• PubChem CID: 69925

CALCULATED PROPERTIES

• Acid pKa: 10.474696
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7373953
• LogD (pH = 7.4): 4.7370367
• Log P: 4.7374
• Molar Refractivity: 78.9875 cm^3
• Polarizability: 33.126953 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149-154°C; 150-153 °C; 150-153 °C(lit.)
• Density: 1.17

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV4325500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (CH); 98%
• Grade: purum
• Linear Formula: (C6H5)3SiOH

DETAILS

Sigma Aldrich - 143723

Packaging
25 g in glass bottle

REFERENCES

• Reaction with CrO ₃ leads readily to bis(triphenylsilyl) chromate which acts as a catalyst in the oxidation of silyl ethers to ketones by t-butyl hydroperoxide: Synlett, 497 (1991).