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| CAS No.: | 3385-94-2 |
|---|---|
| Name: | BIS(TRIMETHYLSILYL) SULFIDE |
| Article Data: | 48 |
| Molecular Structure: | |
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|
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| Formula: | C6H18SSi2 |
| Molecular Weight: | 178.446 |
| Synonyms: | Disilathiane,hexamethyl- (9CI);Disilthiane, hexamethyl- (6CI,7CI,8CI);Bis(trimethylsilyl)sulfide;Bis(trimethylsilyl)sulfur;Hexamethyldisilathiane;Hexamethyldisilthian;Hexamethyldisilthiane;Hexamethyldisilyl sulfide;Hexamethyldisilylthiane;NSC 252160; |
| EINECS: | 222-201-4 |
| Density: | 0.837 g/cm3 |
| Boiling Point: | 159.4 °C at 760 mmHg |
| Flash Point: | 50.2 °C |
| Solubility: | Soluble in tetrahydrofuran and toluene. Hydrolyzes in water. |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 T
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| Risk Codes: | 10-23/24/25 |
| Safety: | 36/37/39-45 |
| Transport Information: | UN 1993 |
| PSA: | 25.30000 |
| LogP: | 3.38940 |
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Specification
The Bis(trimethylsilyl)sulfide, with the CAS registry number 3385-94-2, is also known as Bis(trimethylsilyl)sulfide. It belongs to the product categories of Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry. Its EINECS number is 222-201-4. This chemical's molecular formula is C6H18SSi2 and molecular weight is 178.44. What's more, its IUPAC name is trimethyl(trimethylsilylsulfanyl)silane. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of Bis(trimethylsilyl)sulfide are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/BCF (pH 5.5): 285.06; (5)ACD/KOC (pH 5.5): 1990; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 25.3 Å2; (8)Index of Refraction: 1.432; (9)Molar Refractivity: 55.27 cm3; (10)Molar Volume: 213 cm3; (11)Surface Tension: 18.1 dyne/cm; (12)Density: 0.837 g/cm3; (13)Flash Point: 50.2 °C; (14)Enthalpy of Vaporization: 37.97 kJ/mol; (15)Boiling Point: 159.4 °C at 760 mmHg; (16)Vapour Pressure: 3.25 mmHg at 25°C.
Preparation: this chemical can be prepared by chloro-trimethyl-silane by heating. This reaction will need reagent S(MgBr)2 and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 85%.
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Uses of Bis(trimethylsilyl)sulfide: it can be used to produce dimethyltrisulfane at the temperature of 60 °C. It will need solvent CHCl3 with the reaction time of 14 hours. The yield is about 72.8%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable. It is toxic by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)S[Si](C)(C)C
(2)InChI: InChI=1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
(3)InChIKey: RLECCBFNWDXKPK-UHFFFAOYSA-N