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| CAS No.: | 87290-97-9 |
|---|---|
| Name: | Phenylethynyldimethylsilane |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H12Si |
| Molecular Weight: | 160.291 |
| Synonyms: | 1-(DIMETHYLSILYL)-2-PHENYLACETYLENE;Phenyldimethyl(ethynyl)silane;Ethynyldimethylphenylsilane;Ethynylphenyldimethylsilane;[(Dimethylsilyl)ethynyl]benzene; |
| Density: | 0.906 g/mL at 25 °C(lit.) |
| Melting Point: | <20°C |
| Boiling Point: | 201.1 °C at 760 mmHg |
| Flash Point: | 59.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 2.06400 |
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Specification
The Phenylethynyldimethylsilane, with CAS registry number 87290-97-9, has the systematic name of dimethyl(phenylethynyl)silane. Besides this, it is also called 1-(Dimethylsilyl)-2-phenylacetylene. And the chemical formula of this chemical is C10H12Si.
Physical properties of Phenylethynyldimethylsilane: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 3962.61; (6)ACD/BCF (pH 7.4): 3962.61; (7)ACD/KOC (pH 5.5): 13092.68; (8)ACD/KOC (pH 7.4): 13092.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 59.6 °C; (14)Enthalpy of Vaporization: 41.95 kJ/mol; (15)Boiling Point: 201.1 °C at 760 mmHg; (16)Vapour Pressure: 0.444 mmHg at 25°C.
Preparation: this chemical can be prepared by ethynylbenzene and chloro-dimethyl-silane. This reaction will need reagent EtMgBr and solvent diethyl ether. The reaction temperature is 20 ℃. The yield is about 95%.
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Uses of Phenylethynyldimethylsilane: it can be used to produce dimethyl-phenylethynyl-silanol. The yield is about 90%.
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When you are using this chemical, please be cautious about it as the following:
The Phenylethynyldimethylsilane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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(#Cc1ccccc1)[SiH](C)C
(2)InChI: InChI=1/C10H12Si/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7,11H,1-2H3
(3)InChIKey: JPQVPTPDZWZPQT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H12Si/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7,11H,1-2H3
(5)Std. InChIKey: JPQVPTPDZWZPQT-UHFFFAOYSA-N