1-ethynyl-1,1,2,2,2-pentamethyldisilane

• ChemBase ID: 144754
• Molecular Formular: C7H16Si2
• Molecular Mass: 156.37294
• Monoisotopic Mass: 156.07905358
• SMILES: C[Si](C)(C)[Si](C)(C)C#C
• Canonical SMILES: C#C[Si]([Si](C)(C)C)(C)C
• InChI: InChI=1S/C7H16Si2/c1-7-9(5,6)8(2,3)4/h1H,2-6H3
• InChIKey: YJKJAVGMVVVJPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethynyl-1,1,2,2,2-pentamethyldisilane
• IUPAC Traditional name: 1-ethynyl-1,1,2,2,2-pentamethyldisilane
• Synonyms: (Pentamethyldisilyl)acetylene; (五甲基二甲硅烷基)乙炔

Database IDs

• CAS Number: 63247-94-9
• MDL Number: MFCD03427185
• PubChem SID: 24879659; 162238966
• PubChem CID: 3298367

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9419
• LogD (pH = 7.4): 2.9419
• Log P: 2.9419
• Molar Refractivity: 35.8835 cm^3
• Polarizability: 18.393902 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125 °C(lit.)
• Flash Point: 12 °C; 53.6 °F
• Density: 0.795 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4410(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 97%
• Linear Formula: (CH3)3SiSi(CH3)2C≡CH

DETAILS

Sigma Aldrich - 557293

Packaging
1 g in glass bottle