dimethyl(thiophen-2-yl)silanol

• ChemBase ID: 140440
• Molecular Formular: C6H10OSSi
• Molecular Mass: 158.2935
• Monoisotopic Mass: 158.02216247
• SMILES: C[Si](C)(c1cccs1)O
• Canonical SMILES: C[Si](c1cccs1)(O)C
• InChI: InChI=1S/C6H10OSSi/c1-9(2,7)6-4-3-5-8-6/h3-5,7H,1-2H3
• InChIKey: UDIQRZJWIBRPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(thiophen-2-yl)silanol
• IUPAC Traditional name: dimethyl(thiophen-2-yl)silanol
• Synonyms: Dimethyl(thien-2-yl)silanol; Dimethyl(2-thienyl)silanol; 二甲基(噻吩-2-基)硅烷醇; 二甲基(2-噻吩基)硅烷醇

Database IDs

• CAS Number: 197009-90-8
• MDL Number: MFCD08276878
• PubChem SID: 162234684; 24884881
• PubChem CID: 11469220

CALCULATED PROPERTIES

• Acid pKa: 12.164183
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7570999
• LogD (pH = 7.4): 0.7570926
• Log P: 0.7571
• Molar Refractivity: 35.8648 cm^3
• Polarizability: 16.227438 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.085 g/mL at 25 °C
• Refractive Index: n20/D 1.521

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: (C4H3S)Si(OH)(CH3)2

DETAILS

Sigma Aldrich - 667099

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