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CAS No.: | 17922-24-6 |
---|---|
Name: | TERT-BUTOXYCHLORODIPHENYLSILANE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H19ClOSi |
Molecular Weight: | 290.865 |
Synonyms: | Silane,chloro(1,1-dimethylethoxy)diphenyl- (9CI);Silane, tert-butoxychlorodiphenyl-(8CI);tert-Butoxydiphenylchlorosilane;tert-Butoxydiphenylsilyl chloride; |
EINECS: | -0 |
Density: | 1.07 g/cm3 |
Boiling Point: | 331 °C at 760 mmHg |
Flash Point: | 128.2 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 2986 |
PSA: | 9.23000 |
LogP: | 3.29690 |
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This chemical is called Benzene,1,1'-[chloro(1,1-dimethylethoxy)silylene]bis-, and its systematic name is tert-butoxy(chloro)diphenylsilane. With the molecular formula of C16H19ClOSi, its molecular weight is 290.86. The CAS registry number of the chemical is 17922-24-6. Additionally, its product categories are Monoalkoxysilanes; Monochlorosilanes; Protection & Derivatization Reagents (for Synthesis); Si (Classes of Silicon Compounds); Si-Cl Compounds; Silicon Compounds (for Synthesis); Si-O Compounds; Synthetic Organic Chemistry. However, this chemical should be sealed in the dry and ventilated place, away from oxides, light.
Other characteristics of Benzene,1,1'-[chloro(1,1-dimethylethoxy)silylene]bis- can be summarised as followings: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.36; (4)ACD/LogD (pH 7.4): 7.36; (5)ACD/BCF (pH 5.5): 230807.69; (6)ACD/BCF (pH 7.4): 230807.69; (7)ACD/KOC (pH 5.5): 240209.38; (8)ACD/KOC (pH 7.4): 240209.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 85.32 cm3; (15)Molar Volume: 269.6 cm3; (16)Polarizability: 33.82×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 128.2 °C; (20)Enthalpy of Vaporization: 55.09 kJ/mol; (21)Boiling Point: 331 °C at 760 mmHg; (22)Vapour Pressure: 0.000308 mmHg at 25°C.
Uses of this chemical: The Benzene,1,1'-[chloro(1,1-dimethylethoxy)silylene]bis- could react with Octan-2-ol to obtain the 2-Octyl-tert-butoxydiphenylsilyl ether. This reaction needs the reagent of Et3N, 4-(dimethylamino)pyridine, and the solvent of CH2Cl2. The yield is 90 %. In addition, this reaction should be taken for 1 hour at the temperature of 0 - 20 °C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection when you use it. 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](OC(C)(C)C)(c1ccccc1)c2ccccc2
2.InChI: InChI=1/C16H19ClOSi/c1-16(2,3)18-19(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
3.InChIKey: MSZDOMFSWXWKTK-UHFFFAOYAY
4.Std. InChI: InChI=1S/C16H19ClOSi/c1-16(2,3)18-19(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
5.Std. InChIKey: MSZDOMFSWXWKTK-UHFFFAOYSA-N