Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenylethynyldimethylsilane |
EINECS | N/A |
CAS No. | 87290-97-9 | Density | 0.906 g/mL at 25 °C(lit.) |
PSA | 0.00000 | LogP | 2.06400 |
Solubility | N/A | Melting Point |
<20°C |
Formula | C10H12Si | Boiling Point | 201.1 °C at 760 mmHg |
Molecular Weight | 160.291 | Flash Point | 59.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(DIMETHYLSILYL)-2-PHENYLACETYLENE;Phenyldimethyl(ethynyl)silane;Ethynyldimethylphenylsilane;Ethynylphenyldimethylsilane;[(Dimethylsilyl)ethynyl]benzene; |
Article Data | 6 |
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%.
Uses of Phenylethynyldimethylsilane: it can be used to produce dimethyl-phenylethynyl-silanol. The yield is about 90%.
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