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| CAS No.: | 770-09-2 |
|---|---|
| Name: | Benzyltrimethylsilane |
| Molecular Structure: | |
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| Formula: | C10H16Si |
| Molecular Weight: | 164.323 |
| Synonyms: | Silane,benzyltrimethyl- (6CI,7CI,8CI);Silane, trimethyl(phenylmethyl)- (9CI);(Trimethylsilyl)phenylmethane;Benzyltrimethylsilane;NSC 107;Trimethyl(phenylmethyl)silane;Trimethylbenzylsilane;[(Trimethylsilyl)methyl]benzene;a-Trimethylsilyltoluene;benzyl(trimethyl)silane;Silane, trimethyl (phenylmethyl)-;Benzyl(trimethyl)silan;Benzyltrimethylsilane; |
| EINECS: | 212-218-5 |
| Density: | 0.86 g/cm3 |
| Boiling Point: | 188.7 °C at 760 mmHg |
| Flash Point: | 57.8 °C |
| Solubility: | Insoluble in water. |
| Appearance: | clear colorless liquid |
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 3.37290 |
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Specification
The Benzyltrimethylsilane, with the CAS registry number 770-09-2 and EINECS registry number 212-218-5, has the systematic name and IUPAC name of benzyl(trimethyl)silane. It is a kind of clear colorless liquid, and belongs to the following product categories: Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry; Organometallic Reagents; Organosilicon; Others. And the molecular formula of the chemical is C10H16Si.
The characteristics of Benzyltrimethylsilane are as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 810.59; (6)ACD/BCF (pH 7.4): 810.59; (7)ACD/KOC (pH 5.5): 4204.56; (8)ACD/KOC (pH 7.4): 4204.56; (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: 1.475; (14)Molar Refractivity: 53.78 cm3; (15)Molar Volume: 191 cm3; (16)Polarizability: 21.32×10-24cm3; (17)Surface Tension: 23.9 dyne/cm; (18)Density: 0.86 g/cm3; (19)Flash Point: 57.8 °C; (20)Enthalpy of Vaporization: 40.75 kJ/mol; (21)Boiling Point: 188.7 °C at 760 mmHg; (22)Vapour Pressure: 0.817 mmHg at 25°C.
Preparation of Benzyltrimethylsilane: This chemical can be prepared by benzylmagnesium chloride and chloro-trimethyl-silane. The reaction will need reagent diethyl ether. The reaction time is 3 hours with heating, and the yield is about 81%.
Uses of Benzyltrimethylsilane: It can react with benzoyl chloride to produce 4-(trimethylsilanyl-methyl)-benzophenone. This reaction will need reagent AlCl3, and the menstruum CS2. The reaction time is 2 hours with temperature 0-5°C, and the yield is about 80%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Avoid contact with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccccc1C[Si](C)(C)C
(2)InChI: InChI=1/C10H16Si/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
(3)InChIKey: MRIWRLGWLMRJIW-UHFFFAOYAD