[2-(furan-3-yl)ethynyl]trimethylsilane

• ChemBase ID: 141723
• Molecular Formular: C9H12OSi
• Molecular Mass: 164.27648
• Monoisotopic Mass: 164.06574154
• SMILES: C[Si](C)(C)C#Cc1ccoc1
• Canonical SMILES: C[Si](C#Cc1cocc1)(C)C
• InChI: InChI=1S/C9H12OSi/c1-11(2,3)7-5-9-4-6-10-8-9/h4,6,8H,1-3H3
• InChIKey: YTKPUDNQUBDSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-3-yl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(furan-3-yl)ethynyl]trimethylsilane
• Synonyms: Furan-3-ylethynyltrimethylsilane; Furan-3-ylethynyl-trimethyl-silane; 三甲基硅乙炔-3-呋喃

Database IDs

• CAS Number: 465521-19-1
• MDL Number: MFCD05865193
• PubChem SID: 162235957; 24882627
• PubChem CID: 16217672

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.23
• LogD (pH = 7.4): 3.23
• Log P: 3.23
• Molar Refractivity: 38.808 cm^3
• Polarizability: 18.222242 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 184-186 °C(lit.)
• Flash Point: 149 °F; 65 °C
• Density: 0.906 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4910(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C9H12OSi

DETAILS

Sigma Aldrich - 634476

Packaging
1, 10 g in glass bottle