dimethyl(phenyl)silanol

• ChemBase ID: 140439
• Molecular Formular: C8H12OSi
• Molecular Mass: 152.26578
• Monoisotopic Mass: 152.06574154
• SMILES: C[Si](C)(c1ccccc1)O
• Canonical SMILES: C[Si](c1ccccc1)(O)C
• InChI: InChI=1S/C8H12OSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7,9H,1-2H3
• InChIKey: FDTBETCIPGWBHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(phenyl)silanol
• IUPAC Traditional name: dimethyl(phenyl)silanol
• Synonyms: Dimethylphenylsilanol; 二甲基苯基硅醇

Database IDs

• CAS Number: 5272-18-4
• MDL Number: MFCD08276879
• PubChem SID: 24884882; 162234683
• PubChem CID: 78929

CALCULATED PROPERTIES

• Acid pKa: 12.447011
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1631999
• LogD (pH = 7.4): 1.1631961
• Log P: 1.1632
• Molar Refractivity: 39.5991 cm^3
• Polarizability: 17.563623 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-62°C/0.5mm
• Flash Point: 195.8 °F; 91 °C
• Density: 0.975 g/mL at 25 °C
• Refractive Index: n20/D 1.514

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%
• Linear Formula: (C6H5)Si(OH)(CH3)2

DETAILS

Sigma Aldrich - 667110

Application
A useful silicon nucleophile for Pd-catalyzed cross-coupling.1
Packaging
1, 5 g in glass bottle
Protocols & Applications
Cross-Coupling using Organosilanols as Powerful Nucleophiles