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| CAS No.: | 994-71-8 |
|---|---|
| Name: | BIS(TRI-N-BUTYLSTANNYL)ACETYLENE |
| Molecular Structure: | |
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|
|
| Formula: | C26H54Sn2 |
| Molecular Weight: | 604.135 |
| Synonyms: | Stannane,1,2-ethynediylbis[tributyl- (9CI);Stannane, ethynylenebis[tributyl- (8CI);Tin, ethynylenebis[tributyl- (7CI);Bis(tri-n-butylstannyl)acetylene;Bis(tributylstannyl)acetylene;Bis(tributylstannyl)ethyne;Bis(tributyltin)acetylene;Ethynylenebis[tributyltin];NSC 203205; |
| Density: | 1.147 g/mL at 25 °C(lit.) |
| Boiling Point: | 497.5 °C at 760 mmHg |
| Flash Point: | 254.3 °C |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 21-25-36/38-48/23/25-50/53 |
| Safety: | 35-36/37/39-45-60-61 |
| PSA: | 0.00000 |
| LogP: | 9.76640 |
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Specification
The Bis(tributylstannyl)acetylene is an organic compound with the formula C26H54Sn2. The IUPAC name of this chemical is tributyl(2-tributylstannylethynyl)stannane. With the CAS registry number 994-71-8, it is also named as Ethyne-1,2-diylbis(tributylstannane). The product's categories are Acetylenes; Classes of Metal Compounds; Functionalized Acetylenes; Sn (Tin) Compounds; Typical Metal Compounds; Organometallic Reagents; Organotin; Organotins. Besides, it is clear colorless liquid, which should be stored in a closed cool and dry place.
Physical properties about Bis(tributylstannyl)acetylene are: (1)ACD/LogP: 18.24; (2)# of Rule of 5 Violations: 2; (3)#Freely Rotating Bonds: 19; (4)Flash Point: 254.3 °C; (5)Enthalpy of Vaporization: 73.65 kJ/mol; (6)Boiling Point: 497.5 °C at 760 mmHg; (7)Vapour Pressure: 1.51E-09 mmHg at 25°C.
Uses of Bis(tributylstannyl)acetylene: it can be used to produce bis-(3-methoxy-phenyl)-acetylene by heating. It will need reagent LiCl, 2,6-di-tert-butyl-4-methylphenol, catalyst (Ph3P)4Pd and solvent dioxane with reaction time of 5 hours. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and danger of serious damage to health by prolonged exposure through inhalation and if swallowed. This material and its container must be disposed of in a safe way. Besides, this chemical is irritating to eyes and skin and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#C[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/6C4H9.C2.2Sn/c6*1-3-4-2;1-2;;/h6*1,3-4H2,2H3;;;/rC26H54Sn2/c1-7-13-19-27(20-14-8-2,21-15-9-3)25-26-28(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3
(3)InChIKey: CAUONNQGFXOEMY-QFAZOHPQAP
(4)Std. InChI: InChI=1S/6C4H9.C2.2Sn/c6*1-3-4-2;1-2;;/h6*1,3-4H2,2H3;;;
(5)Std. InChIKey: CAUONNQGFXOEMY-UHFFFAOYSA-N