dimethyl(2-phenylethynyl)silane

• ChemBase ID: 137781
• Molecular Formular: C10H12Si
• Molecular Mass: 160.28778
• Monoisotopic Mass: 160.07082692
• SMILES: C[SiH](C)C#Cc1ccccc1
• Canonical SMILES: C[SiH](C#Cc1ccccc1)C
• InChI: InChI=1S/C10H12Si/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7,11H,1-2H3
• InChIKey: JPQVPTPDZWZPQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-phenylethynyl)silane
• IUPAC Traditional name: dimethyl(2-phenylethynyl)silane
• Synonyms: Dimethyl(phenylethynyl)silane; 1-(Dimethylsilyl)-2-phenylacetylene

Database IDs

• CAS Number: 87290-97-9
• MDL Number: MFCD00054867
• Beilstein Number: 5922782
• PubChem SID: 162232042; 24868724
• PubChem CID: 11062683

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2218
• LogD (pH = 7.4): 2.2218
• Log P: 2.2218
• Molar Refractivity: 41.5455 cm^3
• Polarizability: 19.560213 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 33-34 °C/0.33 mmHg(lit.)
• Flash Point: 161.6 °F; 72 °C
• Density: 0.906 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.544(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C6H5C≡CSiH(CH3)2