TRIBUTYLSTANNYLACETYLENE

The Stannane,tributylethynyl- with CAS registry number of 994-89-8 is also known as Tributylstannylacetylene. The IUPAC name is Tributyl(ethynyl)stannane. It belongs to product categories of Acetylenes; Classes of Metal Compounds; Functionalized Acetylenes; Sn (Tin) Compounds; Typical Metal Compounds; Stannanes. In addition, the formula is C₁₄H₂₈Sn and the molecular weight is 315.08. This chemical is a clear colorless liquid that soluble in most organic solvents. It may present an immediate or delayed danger to one or more components of the environment and it at low levels causes damage to health. This chemical should be sealed in cool, dry place with protection of inert gas away from oxidants. What's more, it is prepared by reaction of tributyltin chloride with acetylene lithium.

Physical properties about Stannane,tributylethynyl- are: (1)ACD/LogP: 9.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.26; (4)ACD/LogD (pH 7.4): 9.26; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2589077.5; (8)ACD/KOC (pH 7.4): 2589077.5; (9)#Freely Rotating Bonds: 9; (10)Flash Point: 136.7 °C; (11)Enthalpy of Vaporization: 49.95 kJ/mol; (12)Boiling Point: 281.6 °C at 760 mmHg; (13)Vapour Pressure: 0.00602 mmHg at 25 °C.

Uses of Stannane,tributylethynyl-: it is used to produce ethynylbenzene by reaction with diphenyliodonium; tetrafluoroborate. The reaction occurs with reagent Pd/C and solvents acetonitrile, H₂O with other condition of ambient temperature for 4 hours. The yield is about 93%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and harmful in contact with skin. It is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. Furthermore, it has danger of serious damage to health by prolonged exposure through inhalation and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment. In case of accident or if you feel unwell seek medical advice immediately. Aftering using it, this material and its container must be disposed of in a safe way as hazardous waste.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCC[Sn](CCCC)(CCCC)C#C
2. InChI: InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;
3. InChIKey: YEMJHNYABQHWHL-UHFFFAOYSA-N