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| CAS No.: | 762-72-1 |
|---|---|
| Name: | Allyltrimethylsilane |
| Molecular Structure: | |
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| Formula: | C6H14Si |
| Molecular Weight: | 114.263 |
| Synonyms: | Silane,allyltrimethyl- (6CI,8CI);Silane, trimethyl-2-propenyl- (9CI);3-(Trimethylsilyl)-1-propene;3-(Trimethylsilyl)propene;Trimethyl(2-propenyl)silane;Trimethylallylsilane;trimethyl(prop-2-en-1-yl)silane;2-Propenyltrimethylsilane;Silane, allyltrimethyl-;Silane, trimethyl-2-propen-1-yl-;Trimethyl(prop-2-en-1-yl)silan; |
| EINECS: | 212-104-5 |
| Density: | 0.721 g/cm3 |
| Boiling Point: | 84.9 °C at 760 mmHg |
| Flash Point: | 7.2 °C |
| Solubility: | insoluble in water |
| Appearance: | clear, colorless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36-23-33-7/9 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.51060 |
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Specification
The Silane,trimethyl-2-propen-1-yl-, with the CAS registry number 762-72-1 and EINECS registry number 212-104-5, has the systematic name of trimethyl(prop-2-en-1-yl)silane. It is a kind of clear colorless liquid, and belongs to the following product categories: Industrial/Fine Chemicals; API intermediates; Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Vinylsilanes, Allylsilanes; Si (Classes of Silicon Compounds); Synthetic Organic Chemistry. The molecular formula of the chemical is C6H14Si.
The characteristics of Silane,trimethyl-2-propen-1-yl- are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 221.65; (6)ACD/BCF (pH 7.4): 221.65; (7)ACD/KOC (pH 5.5): 1662.02; (8)ACD/KOC (pH 7.4): 1662.02; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.398; (14)Molar Refractivity: 38.28 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 15.17×10-24cm3; (17)Surface Tension: 16.4 dyne/cm; (18)Density: 0.721 g/cm3; (19)Flash Point: 7.2 °C; (20)Enthalpy of Vaporization: 31.18 kJ/mol; (21)Boiling Point: 84.9 °C at 760 mmHg; (22)Vapour Pressure: 79.2 mmHg at 25°C.
Preparation: This chemical can be prepared by trimethylchlorosilane and Allyl magnesium bromide:
(CH3)3SiCl+CH2=CHCH2MgBR→(CH3)3SiCH2CH=CH2+MgBrCl
Uses of Silane,trimethyl-2-propen-1-yl-: It can react with cyclohexanone to produce 1-Allyl-cyclohexanol. This rhe reaction will need reagent TBAF and p-allylpalladium chloride dimer, and the menstruum hexane and tetrahydrofuran. The reaction time is 97 hours, and the yield is about 21%.
You should be cautious while dealing with this chemical. It is a kind of highly flammmable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep container tightly closed and in a well-ventilated place; Take precautionary measures against static discharges.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=C\C[Si](C)(C)C
(2)InChI: InChI=1/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
(3)InChIKey: HYWCXWRMUZYRPH-UHFFFAOYAC