triethoxy(furan-3-yl)silane

• ChemBase ID: 139609
• Molecular Formular: C10H18O4Si
• Molecular Mass: 230.33302
• Monoisotopic Mass: 230.09743559
• SMILES: CCO[Si](c1ccoc1)(OCC)OCC
• Canonical SMILES: CCO[Si](c1cocc1)(OCC)OCC
• InChI: InChI=1S/C10H18O4Si/c1-4-12-15(13-5-2,14-6-3)10-7-8-11-9-10/h7-9H,4-6H2,1-3H3
• InChIKey: FCIABWJRBPKYJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(furan-3-yl)silane
• IUPAC Traditional name: triethoxy(furan-3-yl)silane
• Synonyms: 3-(Triethoxysilyl)furan; 3-(三乙氧基甲硅烷基)呋喃

Database IDs

• CAS Number: 75905-12-3
• MDL Number: MFCD05664290
• PubChem SID: 24881384; 162233857
• PubChem CID: 12556749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.434
• LogD (pH = 7.4): 2.434
• Log P: 2.434
• Molar Refractivity: 53.3742 cm^3
• Polarizability: 23.292429 Å^3
• Polar Surface Area: 40.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50 °C/0.2 mmHg(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 1.004 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4320(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H18O4Si

DETAILS

Sigma Aldrich - 592315

Application
A silicon-based nucleophile shown to be reactive in Pd-catalyzed cross-coupling reactions.1
Packaging
5 g in glass bottle