sodium furan-2-yldimethylsilanolate

• ChemBase ID: 140650
• Molecular Formular: C6H9NaO2Si
• Molecular Mass: 164.20973
• Monoisotopic Mass: 164.02695034
• SMILES: C[Si](C)(c1ccco1)[O-].[Na+]
• Canonical SMILES: [O-][Si](c1ccco1)(C)C.[Na+]
• InChI: InChI=1S/C6H9O2Si.Na/c1-9(2,7)6-4-3-5-8-6;/h3-5H,1-2H3;/q-1;+1
• InChIKey: LZJRCLPTAZMQQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium furan-2-yldimethylsilanolate
• IUPAC Traditional name: sodium furan-2-yldimethylsilanolate
• Synonyms: Sodium 2-furanyldimethylsilanolate; Dimethyl-2-furylsilanol sodium salt; Sodium 2-furyldimethylsilanolate; 2-Furyldimethylsilanol sodium salt; 二甲基-2-呋喃基硅烷醇 钠盐; 2-呋喃基二甲基硅烷醇钠盐

Database IDs

• CAS Number: 879904-88-8
• MDL Number: MFCD08457663
• PubChem SID: 24885150; 162234891
• PubChem CID: 23693090

CALCULATED PROPERTIES

• Acid pKa: 11.532302
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2900996
• LogD (pH = 7.4): 0.29006815
• Log P: 0.2901
• Molar Refractivity: 30.2441 cm^3
• Polarizability: 14.164125 Å^3
• Polar Surface Area: 36.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-80 °C; ca 92°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Linear Formula: (C4H3O)Si(ONa)(CH3)2

DETAILS

Sigma Aldrich - 673250

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