(2H)ethynyltrimethylsilane

• ChemBase ID: 137548
• Molecular Formular: C5H10Si
• Molecular Mass: 98.2184
• Monoisotopic Mass: 98.05517685
• SMILES: C#C[Si](C)(C)C
• Canonical SMILES: C#C[Si](C)(C)C
• InChI: InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3
• InChIKey: CWMFRHBXRUITQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H)ethynyltrimethylsilane
• IUPAC Traditional name: (^2H)ethynyltrimethylsilane
• Synonyms: (Trimethylsilyl)acetylene-d; (三甲基硅烷基)乙炔-d

Database IDs

• CAS Number: 7299-46-9
• MDL Number: MFCD02683453
• PubChem SID: 24878080; 162231810
• PubChem CID: 12416617

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2404
• LogD (pH = 7.4): 2.2404
• Log P: 2.2404
• Molar Refractivity: 23.6303 cm^3
• Polarizability: 11.780916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53 °C(lit.)
• Flash Point: -29.2 °F; -34 °C
• Density: 0.702 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.388(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 2

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: (CH3)3SiC≡CD

DETAILS

Sigma Aldrich - 535206

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.