TRIETHYLBROMOSILANE

The Bromotriethylsilane, with CAS registry number 1112-48-7, has the systematic name of bromo(triethyl)silane. And its IUPAC name is the same one. Besides this, it is also called Silane, bromotriethyl-. What's more, its EINECS is 214-191-5, and its refractive index is 1.456.

Physical properties about this chemical are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 575.55; (6)ACD/BCF (pH 7.4): 575.55; (7)ACD/KOC (pH 5.5): 3290.57; (8)ACD/KOC (pH 7.4): 3290.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 46.29 cm³; (15)Molar Volume: 176.4 cm³; (16)Polarizability: 18.35×10^-24cm³; (17)Surface Tension: 21.9 dyne/cm; (18)Enthalpy of Vaporization: 37.93 kJ/mol; (19)Vapour Pressure: 3.32 mmHg at 25°C.

Preparation: this chemical can be prepared by triethylsilane. This reaction will need reagent CuBr₂ and solvent diethyl ether. The reaction time is 1.5 hour(s) with reaction temperature of 20 ℃. The yield is about 82%.

Uses of Bromotriethylsilane: it can be used to produce 2,6-dibromo-4-tert-butylphenoxytriethylsilane. This reaction will need reagent triethylamine and solvent tetrahydrofuran. The reaction time is 4 hour(s). The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
The Bromotriethylsilane is flammable, and it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. 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: Br[Si](CC)(CC)CC
(2)InChI: InChI=1/C6H15BrSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
(3)InChIKey: UCKORWKZRPKRQE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H15BrSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
(5)Std. InChIKey: UCKORWKZRPKRQE-UHFFFAOYSA-N