ethynyldimethylphenylsilane

• ChemBase ID: 147604
• Molecular Formular: C10H12Si
• Molecular Mass: 160.28778
• Monoisotopic Mass: 160.07082692
• SMILES: C[Si](C)(C#C)c1ccccc1
• Canonical SMILES: C#C[Si](c1ccccc1)(C)C
• InChI: InChI=1S/C10H12Si/c1-4-11(2,3)10-8-6-5-7-9-10/h1,5-9H,2-3H3
• InChIKey: SSEAMHJAEFEPPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynyldimethylphenylsilane
• IUPAC Traditional name: ethynyldimethylphenylsilane
• Synonyms: (Dimethylphenylsilyl)acetylene; (二甲基苯基甲硅烷基)乙酰亚基

Database IDs

• CAS Number: 17156-64-8
• MDL Number: MFCD01321221
• PubChem SID: 162241791; 24864797
• PubChem CID: 4080658

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5996
• LogD (pH = 7.4): 3.5996
• Log P: 3.5996
• Molar Refractivity: 43.5555 cm^3
• Polarizability: 19.569838 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 34 °C/0.07 mmHg(lit.)
• Flash Point: 135 °F; 57 °C
• Density: 0.907 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.508(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: C6H5Si(CH3)2C≡CH

DETAILS

Sigma Aldrich - 399256

Packaging
1, 5 g in glass bottle