tributyl[2-(tributylstannyl)ethynyl]stannane

• ChemBase ID: 91813
• Molecular Formular: C26H54Sn2
• Molecular Mass: 604.10896
• Monoisotopic Mass: 606.22693973
• SMILES: [Sn](CCCC)(CCCC)(CCCC)C#C[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/6C4H9.C2.2Sn/c6*1-3-4-2;1-2;;/h6*1,3-4H2,2H3
• InChIKey: CAUONNQGFXOEMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[2-(tributylstannyl)ethynyl]stannane
• IUPAC Traditional name: tributyl[2-(tributylstannyl)ethynyl]stannane
• Synonyms: Bis(tributylstannyl)acetylene; Bis(tributylstannyl)acetylene; 双(三丁基甲锡烷基)乙炔

Database IDs

• CAS Number: 994-71-8
• MDL Number: MFCD00010239
• PubChem SID: 162078511; 24856435
• PubChem CID: 305981

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 13.1574
• LogD (pH = 7.4): 13.1574
• Log P: 13.1574
• Molar Refractivity: 122.2314 cm^3
• Polarizability: 58.18916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.147 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.493(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 95%
• Linear Formula: [CH3(CH2)3]3SnC≡CSn[(CH2)3CH3]3

DETAILS

Sigma Aldrich - 271403

Packaging
5 g in glass bottle