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| CAS No.: | 1777-03-3 |
|---|---|
| Name: | (TRIETHYLSILYL)ACETYLENE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H16Si |
| Molecular Weight: | 140.301 |
| Synonyms: | (Triethylsilyl)acetylene;(Triethylsilyl)ethyne;Triethylethynylsilane; |
| EINECS: | 628-759-9 |
| Density: | 0.779 g/cm3 |
| Melting Point: | 95-97 °C(Solv: chloroform (67-66-3); hexane (110-54-3)) |
| Boiling Point: | 140.2 °C at 760 mmHg |
| Flash Point: | 17.2 °C |
| Appearance: | Clear colorless to faintly yellow liquid |
| Hazard Symbols: |
 F,  Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.66730 |
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Specification
This chemical is called Ethynyltriethylsilane, and its systematic name is triethyl(ethynyl)silane. With the molecular formula of C8H16Si, its product categories are Acetylenes; Ethynylsilanes; Functionalized Acetylenes; Si (Classes of Silicon Compounds); Si-(C)4 Compounds. The CAS registry number of this chemical is 1777-03-3. In addition, this chemical should be sealed in the cool and dry place, away from oxides and fire.
Other characteristics of the Ethynyltriethylsilane can be summarised as followings: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 417.19; (6)ACD/BCF (pH 7.4): 417.19; (7)ACD/KOC (pH 5.5): 2613.6; (8)ACD/KOC (pH 7.4): 2613.6; (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: 1.42; (14)Molar Refractivity: 45.65 cm3; (15)Molar Volume: 180 cm3; (16)Polarizability: 18.09×10-24cm3; (17)Surface Tension: 21.6 dyne/cm; (18)Density: 0.779 g/cm3; (19)Flash Point: 17.2 °C; (20)Enthalpy of Vaporization: 36.18 kJ/mol; (21)Boiling Point: 140.2 °C at 760 mmHg; (22)Vapour Pressure: 7.75 mmHg at 25°C.
Uses of this chemical: The Ethynyltriethylsilane could react with silicic acid tetraethyl ester, and obtain the 1-triethylsilyl-2-triethoxysilylacetylene. This reaction needs the reagent of MgEtBr. The yield is 58.9 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. It's highly flammable, so keep it far away from the sources of ignition. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: C#C[Si](CC)(CC)C
2.InChI: InChI=1/C8H16Si/c1-5-9(6-2,7-3)8-4/h1H,6-8H2,2-4H3
3.InChIKey: FWSPXZXVNVQHIF-UHFFFAOYAP