(1,2-13C2)ethynyltrimethylsilane

• ChemBase ID: 135132
• Molecular Formular: C5H10Si
• Molecular Mass: 100.20370968
• Monoisotopic Mass: 100.06188653
• SMILES: C[Si](C)(C)[13C]#[13CH]
• Canonical SMILES: [13CH]#[13C][Si](C)(C)C
• InChI: InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3/i1+1,5+1
• InChIKey: CWMFRHBXRUITQE-AEGZSVGQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-^1^3C₂)ethynyltrimethylsilane
• IUPAC Traditional name: (1,2-^1^3C₂)ethynyltrimethylsilane
• Synonyms: (Trimethylsilyl)acetylene-13C2; (三甲基硅烷基)乙炔-13C2

Database IDs

• CAS Number: 285138-86-5
• PubChem SID: 162229407
• PubChem CID: 66552881

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
• Mass Shift: M+2

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
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 95% (CP)
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 100.20 by atom % calculation
• Linear Formula: (CH3)3Si13C≡13CH

DETAILS

Sigma Aldrich - 603511

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.