trimethyl[2-(trimethylstannyl)ethynyl]stannane

• ChemBase ID: 148627
• Molecular Formular: C8H18Sn2
• Molecular Mass: 351.63052
• Monoisotopic Mass: 353.94523858
• SMILES: C[Sn](C)(C)C#C[Sn](C)(C)C
• Canonical SMILES: C[Sn](C#C[Sn](C)(C)C)(C)C
• InChI: InChI=1S/C2.6CH3.2Sn/c1-2;;;;;;;;/h;6*1H3
• InChIKey: CDIFRACRLLNHOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-(trimethylstannyl)ethynyl]stannane
• IUPAC Traditional name: trimethyl[2-(trimethylstannyl)ethynyl]stannane
• Synonyms: 1,2-Ethynediylbis[trimethylstannane]; Ethynylenebis[trimethyl]tin; Bis(trimethylstannyl)acetylene; 双(三甲基锡)乙炔

Database IDs

• CAS Number: 2117-50-2
• EC Number: 218-324-8
• MDL Number: MFCD01073798
• PubChem SID: 24871903; 162242802
• PubChem CID: 75031

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.558
• LogD (pH = 7.4): 6.558
• Log P: 6.558
• Molar Refractivity: 38.6946 cm^3
• Polarizability: 25.542732 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 59-61 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2926
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 26/27/28-50/53
• Safety Statements: 26-27-28-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2926 4.1/PG 2

Product Information

• Linear Formula: (CH3)3SnC≡CSn(CH3)3

DETAILS

Sigma Aldrich - 483613

Packaging
1 g in glass bottle