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| CAS No.: | 770-10-5 |
|---|---|
| Name: | Benzyltrichlorosilane |
| Article Data: | 36 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7Cl3Si |
| Molecular Weight: | 225.577 |
| Synonyms: | Silane,benzyltrichloro- (6CI,7CI,8CI);Silane, trichloro(phenylmethyl)- (9CI);Benzyltrichlorosilane;benzyl(trichloro)silane;Benzyl(trichloro)silane;Silane, trichloro(phenylmethyl)-;Benzyl(trichlor)silan;benzyltrichlorosilane; |
| EINECS: | 212-219-0 |
| Density: | 1.284 g/cm3 |
| Boiling Point: | 213.7 °C at 760 mmHg |
| Flash Point: | 93.9 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-14 |
| Safety: | 8-45-36/37/39-26 |
| PSA: | 0.00000 |
| LogP: | 3.69000 |
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Specification
The Benzyltrichlorosilane, with the CAS registry number 770-10-5 and EINECS registry number 212-219-0, has the systematic name and IUPAC name of benzyl(trichloro)silane. It is a kind of clear colorless liquid. And the molecular formula of the chemical is C7H7Cl3Si.
The characteristics of Benzyltrichlorosilane are as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20189.37; (6)ACD/BCF (pH 7.4): 20189.37; (7)ACD/KOC (pH 5.5): 41994.58; (8)ACD/KOC (pH 7.4): 41994.58; (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: 1.532; (14)Molar Refractivity: 54.43 cm3; (15)Molar Volume: 175.6 cm3; (16)Polarizability: 21.57×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 93.9 °C; (20)Enthalpy of Vaporization: 43.17 kJ/mol; (21)Boiling Point: 213.7 °C at 760 mmHg; (22)Vapour Pressure: 0.236 mmHg at 25°C.
Preparation of Benzyltrichlorosilane: This chemical can be prepared by benzene and trichloro-chloromethyl-silane. The reaction will need reagent AlCl3, and the menstruum dodecane. The reaction time is 20 hours with the temperature of 200°C, and the yield is about 31%.
Uses of Benzyltrichlorosilane: It can react with methanol to produce benzyl-trimethoxy-silane. This reaction will need reagent Et3N, and the menstruum hexane. The reaction time is 1 hour with heating, and the yield is about 31%.
You should be cautious while dealing with this chemical. It reacts violently with water and may cause burns. Therefore, you had better take the following instructions: Keep container dry; Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl[Si](Cl)(Cl)Cc1ccccc1
(2)InChI: InChI=1/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: GONOPSZTUGRENK-UHFFFAOYAJ