trimethyl(2-phenylethynyl)silane

• ChemBase ID: 149230
• Molecular Formular: C11H14Si
• Molecular Mass: 174.31436
• Monoisotopic Mass: 174.08647698
• SMILES: C[Si](C)(C)C#Cc1ccccc1
• Canonical SMILES: C[Si](C#Cc1ccccc1)(C)C
• InChI: InChI=1S/C11H14Si/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3
• InChIKey: UZIXCCMXZQWTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(2-phenylethynyl)silane
• IUPAC Traditional name: trimethyl(2-phenylethynyl)silane
• Synonyms: 1-(Trimethylsilyl)-2-phenylacetylene; Phenylethynyl-trimethylsilane; Trimethyl(phenylethynyl)silane; 1-Phenyl-2-trimethylsilylacetylene; 1-Phenyl-2-(trimethylsilyl)acetylene; 1-苯基-2-(三甲基硅烷基)乙炔; 三甲基(苯乙炔基)硅烷; 苯基乙炔基三甲基硅烷; 1-苯基-2-(三甲基硅)乙炔

Database IDs

• CAS Number: 2170-06-1
• MDL Number: MFCD00054860
• Beilstein Number: 3088678
• PubChem SID: 162243398; 24860590
• PubChem CID: 137464

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0458
• LogD (pH = 7.4): 4.0458
• Log P: 4.0458
• Molar Refractivity: 46.2946 cm^3
• Polarizability: 21.407114 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 87-88 °C/9 mmHg(lit.)
• Flash Point: 165.2 °F; 74 °C
• Density: 0.886 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.528(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• 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: 95+%; 99%
• Linear Formula: C6H5C≡CSi(CH3)3

DETAILS

Sigma Aldrich - 338923

Packaging
10, 50 g in glass bottle