ethynyltriphenylsilane

• ChemBase ID: 145432
• Molecular Formular: C20H16Si
• Molecular Mass: 284.42654
• Monoisotopic Mass: 284.10212704
• SMILES: C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H16Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17H
• InChIKey: WADKYPSVXRWORK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynyltriphenylsilane
• IUPAC Traditional name: ethynyltriphenylsilane
• Synonyms: (Triphenylsilyl)acetylene; 三苯基硅乙炔

Database IDs

• CAS Number: 6229-00-1
• MDL Number: MFCD00075453
• PubChem SID: 24862140; 162239638
• PubChem CID: 642601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.063
• LogD (pH = 7.4): 5.063
• Log P: 5.063
• Molar Refractivity: 83.4059 cm^3
• Polarizability: 35.16191 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 48-50 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: (C6H5)3SiC≡CH

DETAILS

Sigma Aldrich - 360058

Packaging
5 g in glass bottle