(2-cyclopropylethynyl)trimethylsilane

• ChemBase ID: 93000
• Molecular Formular: C8H14Si
• Molecular Mass: 138.28226
• Monoisotopic Mass: 138.08647698
• SMILES: [Si](C#CC1CC1)(C)(C)C
• Canonical SMILES: C[Si](C#CC1CC1)(C)C
• InChI: InChI=1S/C8H14Si/c1-9(2,3)7-6-8-4-5-8/h8H,4-5H2,1-3H3
• InChIKey: IYQSVLJDYLPMCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclopropylethynyl)trimethylsilane
• IUPAC Traditional name: (2-cyclopropylethynyl)trimethylsilane
• Synonyms: [(Trimethylsilyl)ethynyl]cyclopropane; Cyclopropyl(trimethylsilyl)acetylene; (Cyclopropylethynyl)trimethylsilane 96%; Cyclopropyl(trimethylsilyl)acetylene; 环己基(三甲基硅烷)乙炔

Database IDs

• CAS Number: 81166-84-9
• MDL Number: MFCD00671355
• PubChem SID: 162079698
• PubChem CID: 2758018

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0514
• LogD (pH = 7.4): 3.0514
• Log P: 3.0514
• Molar Refractivity: 36.4785 cm^3
• Polarizability: 16.580742 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 83°C/80mm
• Flash Point: 25°C(77°F)
• Refractive Index: 1.454; 1.4547

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%