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| CAS No.: | 89031-84-5 |
|---|---|
| Name: | (3-Bromopropoxy)-tert-butyldimethylsilane |
| Article Data: | 71 |
| Molecular Structure: | |
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| Formula: | C9H21BrOSi |
| Molecular Weight: | 253.255 |
| Synonyms: | (3-Bromopropoxy)(1,1-dimethylethyl)dimethylsilane;(3-Bromopropoxy)-tert-butyldimethylsilane;1-((tert-Butyldimethylsilyl)oxy)-3-bromopropane;1-Bromo-3-[(tert-butyldimethylsilyl)oxy]propane;3-((tert-Butyldimethylsilyl)oxy)-1-bromopropane;3-(tert-Butyldimethylsilyloxy)propyl bromide;3-Bromo-1-(1,1,2,2-tetramethyl-1-silapropoxy)propane;3-Bromo-1-propanoltert-butyldimethylsilyl ether;[(3-Bromopropyl)oxy](1,1-dimethylethyl)dimethylsilane; |
| Density: | 1.089 g/cm3 |
| Boiling Point: | 219.2 °C at 760 mmHg |
| Flash Point: | 86.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 9.23000 |
| LogP: | 3.79320 |
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Specification
The (3-Bromopropoxy)-tert-butyldimethylsilane, with the CAS registry number 89031-84-5, is also called Propane, 1-bromo-3-(t-butyldimethylsilyloxy)-. It belongs to the following product categories: Organic Building Blocks; Oxygen Compounds; Protected Alcohols/Phenols. What's more, it should be stored in sealed containers with the temperature of 2-8°C. And the molecular formula of the chemical is C9H21BrOSi.
The characteristics of (3-Bromopropoxy)-tert-butyldimethylsilane are as followings: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 823.49; (6)ACD/BCF (pH 7.4): 823.49; (7)ACD/KOC (pH 5.5): 4252.34; (8)ACD/KOC (pH 7.4): 4252.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 61.9 cm3; (15)Molar Volume: 232.4 cm3; (16)Polarizability: 24.54×10-24cm3; (17)Surface Tension: 24.3 dyne/cm; (18)Density: 1.089 g/cm3; (19)Flash Point: 86.4 °C; (20)Enthalpy of Vaporization: 43.71 kJ/mol; (21)Boiling Point: 219.2 °C at 760 mmHg; (22)Vapour Pressure: 0.178 mmHg at 25°C.
Uses of (3-Bromopropoxy)-tert-butyldimethylsilane: It can react with hydrocyanic acid sodium salt to produce 3-tert-butyldimethylsilyloxy-propionitrile. This reaction will need reagent dimethylsulfoxide. The reaction time is 25 hours with temperature of 23°C, and the yield is about 91%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCCO[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C9H21BrOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3
(3)InChIKey: QGMROEZDWJTIDW-UHFFFAOYAF