ethynyl(methyl)diphenylsilane

• ChemBase ID: 147916
• Molecular Formular: C15H14Si
• Molecular Mass: 222.35716
• Monoisotopic Mass: 222.08647698
• SMILES: C[Si](C#C)(c1ccccc1)c1ccccc1
• Canonical SMILES: C#C[Si](c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C15H14Si/c1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3
• InChIKey: XSXNZQAPLNNSCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynyl(methyl)diphenylsilane
• IUPAC Traditional name: ethynyl(methyl)diphenylsilane
• Synonyms: (Methyldiphenylsilyl)acetylene; (甲基二苯基甲硅烷基)乙酰亚基

Database IDs

• CAS Number: 17156-65-9
• MDL Number: MFCD01321220
• PubChem SID: 24864796; 162242097
• PubChem CID: 4463980

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9588
• LogD (pH = 7.4): 4.9588
• Log P: 4.9588
• Molar Refractivity: 63.4807 cm^3
• Polarizability: 27.365177 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 86 °C/0.05 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.575(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: CH3Si(C6H5)2C≡CH

DETAILS

Sigma Aldrich - 399221

Packaging
5 g in glass bottle