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| CAS No.: | 6229-00-1 |
|---|---|
| Name: | (TRIPHENYLSILYL)ACETYLENE 98 |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C20H16Si |
| Molecular Weight: | 284.433 |
| Synonyms: | Silane,ethynyltriphenyl- (6CI,7CI,8CI,9CI);Ethynyltriphenylsilane;Triphenylsilylacetylene;Triphenylsilylethyne; |
| Density: | 1.074 g/cm3 |
| Melting Point: | 48-50 °C(lit.) |
| Boiling Point: | 365.2 °C at 760 mmHg |
| Flash Point: | 173.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 2.32920 |
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Specification
The systematic name of (Triphenylsilyl)acetylene is ethynyl(triphenyl)silane. With the CAS registry number 6229-00-1, it is also named as benzene, 1,1',1''-(ethynylsilylidyne)tris-. The product's categories are Alkynes; Organic Building Blocks; Terminal. In addition, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.41; (4)ACD/LogD (pH 7.4): 7.41; (5)ACD/BCF (pH 5.5): 253492.7; (6)ACD/BCF (pH 7.4): 253492.7; (7)ACD/KOC (pH 5.5): 256881.78; (8)ACD/KOC (pH 7.4): 256881.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 91.99 cm3; (15)Molar Volume: 263.4 cm3; (16)Polarizability: 36.47×10-24 cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 173.7 °C; (20)Enthalpy of Vaporization: 58.74 kJ/mol; (21)Boiling Point: 365.2 °C at 760 mmHg; (22)Vapour Pressure: 3.36E-05 mmHg at 25°C.
Preparation of (Triphenylsilyl)acetylene: It can be obtained by ethyne and chloro-triphenyl-silane. This reaction needs reagent EtMgBr and solvent tetrahydrofuran by heating. The reaction time is 36 hours. The yield is 75%.
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Uses of (Triphenylsilyl)acetylene: It can react with Trifluoromethyltrimethylsilane to get Trimethylsilyl-triphenylsilyl-aethin. This reaction which is a kind of silylation needs reagent CsF and solvent tetrahydrofuran at temperature of 20°C. The reaction time is 0.2 hours. The yield is 100%.
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When you are using this chemical, please be cautious about it as the following:
It is 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 gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:C#C[Si](c1ccccc1)(c2ccccc2)c3ccccc3
2. InChI:InChI=1/C20H16Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17H
3. InChIKey:WADKYPSVXRWORK-UHFFFAOYAT