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| CAS No.: | 14630-40-1 |
|---|---|
| Name: | Bis(trimethylsilyl)acetylene |
| Article Data: | 66 |
| Molecular Structure: | |
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| Formula: | C8H18Si2 |
| Molecular Weight: | 170.402 |
| Synonyms: | 2,5-Disilahex-3-yne,2,2,5,5-tetramethyl- (6CI,7CI,8CI);Silane, 1,2-ethynediylbis[trimethyl- (9CI);1,2-Bis(trimethylsilanyl)ethyne;1,2-Bis(trimethylsilyl)ethyne;Bis(trimethylsilyl)ethyne; |
| EINECS: | 238-671-9 |
| Density: | 0.791 g/cm3 |
| Melting Point: | 21-24 °C |
| Boiling Point: | 134.6 °C at 760 mmHg |
| Flash Point: | 17.1 °C |
| Solubility: | decompose in water |
| Appearance: | clear colorless liquid after melting |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 3/PG 2 |
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Specification
The systematic name of Silane,1,1'-(1,2-ethynediyl)bis[1,1,1-trimethyl- is ethyne-1,2-diylbis(trimethylsilane). With the CAS registry number 14630-40-1, it is also named as Bis(trimethylsilyl)acetylene. The product's categories are Industrial / Fine Chemicals; Acetylenes; Ethynylsilanes; Functionalized Acetylenes; Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry. It is clear colorless liquid after melting which is stable under naomal temperature and pressure. Additionally, this chemical should be sealed in the container which is filled with argon.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 686.47; (6)ACD/BCF (pH 7.4): 686.47; (7)ACD/KOC (pH 5.5): 3732.99; (8)ACD/KOC (pH 7.4): 3732.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 54.55 cm3; (15)Molar Volume: 215.3 cm3; (16)Polarizability: 21.62×10-24 cm3; (17)Surface Tension: 18.5 dyne/cm; (18)Density: 0.791 g/cm3; (19)Flash Point: 17.1 °C; (20)Enthalpy of Vaporization: 35.67 kJ/mol; (21)Boiling Point: 134.6 °C at 760 mmHg; (22)Vapour Pressure: 9.9 mmHg at 25°C.
Preparation of Silane,1,1'-(1,2-ethynediyl)bis[1,1,1-trimethyl-: It can be obtained by butynedioic acid dimethyl ester and 3,4-bis-trimethylsilanyl-furan. This reaction reacts at temperature of 75 °C. The yield is 73%.
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Uses of Silane,1,1'-(1,2-ethynediyl)bis[1,1,1-trimethyl-: It can react with propionyl chloride to get 1-trimethylsilanyl-pent-1-yn-3-one. This reaction which is a kind of acylation needs reagent AlCl3 and solvent CH2Cl2.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:C(#C[Si](C)(C)C)[Si](C)(C)C
2. InChI:InChI=1/C8H18Si2/c1-9(2,3)7-8-10(4,5)6/h1-6H3
3. InChIKey:ZDWYFWIBTZJGOR-UHFFFAOYAF