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| CAS No.: | 18171-74-9 |
|---|---|
| Name: | tert-Butyltrichlorosilane |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9Cl3Si |
| Molecular Weight: | 191.56 |
| Synonyms: | Silane,tert-butyltrichloro- (7CI,8CI);Trichloro(tert-butyl)silane;t-Butyltrichlorosilane;tert-Butylsilicon trichloride;tert-Butyltrichlorosilane; |
| EINECS: | 242-059-7 |
| Density: | 1.164 g/cm3 |
| Melting Point: | 98 °C |
| Boiling Point: | 136.2 °C at 760 mmHg |
| Flash Point: | 40.6 °C |
| Solubility: | 2.5 g/100 mL (20 oC) |
| Appearance: | dark brown liquid with an unpleasant odour |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-14-34 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2925 4.1/PG 2 |
| PSA: | 0.00000 |
| LogP: | 3.44180 |
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Specification
The CAS register number of Silane,trichloro(1,1-dimethylethyl)- is 18171-74-9. It also can be called as tert-Butylsilicon trichloride and the systematic name about this chemical is tert-butyl(trichloro)silane. The molecular formula about this chemical is C4H9Cl3Si and the molecular weight is 191.56. It belongs to the following product categories which include Poss Precursors and Intermediates; RSiCl3Self Assembly & Contact Printing; Self-Assembly Materials; Silane Coupling Agents/Adhesion Promoters; SilanesSelf Assembly & Contact Printing; Silsesquioxanes: Poss Nanohybrids; Trichlorosilanes and so on.
Physical properties about Silane,trichloro(1,1-dimethylethyl)- are: (1)ACD/LogP: 5.42 ; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.42 ; (4)ACD/LogD (pH 7.4): 5.42; (5)ACD/BCF (pH 5.5): 7734.37; (6)ACD/BCF (pH 7.4): 7734.37; (7)ACD/KOC (pH 5.5): 21131.26; (8)ACD/KOC (pH 7.4): 21131.26; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.445; (11)Molar Refractivity: 43.81 cm3; (12)Molar Volume: 164.5 cm3; (13)Polarizability: 17.36x10-24cm3; (14)Surface Tension: 23.1 dyne/cm; (15)Density: 1.164 g/cm3; (16)Flash Point: 40.6 °C; (17)Enthalpy of Vaporization: 35.82 kJ/mol; (18)Boiling Point: 136.2 °C at 760 mmHg; (19)Vapour Pressure: 9.22 mmHg at 25°C.
Preparation: this chemical can be prepared by tert-butyl-lithium. This reaction will need reagent pentane, SiCl4.
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Uses of Silane,trichloro(1,1-dimethylethyl)-: it can be used to produce tert-butyl-silane. This reaction will need reagent LiAlH4 and solvent dibutyl ether. The yield is about 53%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It can react violently with water. If you want to use this chemical, please keep away from sources of ignition. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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 the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Si](Cl)(Cl)C(C)(C)C
(2)InChI: InChI=1/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3
(3)InChIKey: MOOUPSHQAMJMSL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3
(5)Std. InChIKey: MOOUPSHQAMJMSL-UHFFFAOYSA-N