Propane,2-bromo-2-methyl-

The CAS registry number of tert-Butyl bromide is 507-19-7. With the EINECS registry number 208-065-9, its IUPAC name is 2-bromo-2-methylpropane. In addition, the molecular formula is C₄H₉Br. What's more, it is a kind of clear colourless to yellow-brown liquid and should be stored in a cool and dry place. This organobromine compound is used as a raw material in synthetic organic chemistry. And it is isomeric with 1-bromobutane and 2-bromobutane.

Physical properties about this chemical are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.67; (5)ACD/BCF (pH 7.4): 37.67; (6)ACD/KOC (pH 5.5): 467.43; (7)ACD/KOC (pH 7.4): 467.43; (8)Index of Refraction: 1.437; (9)Molar Refractivity: 28.27 cm³; (10)Molar Volume: 107.7 cm³; (11)Polarizability: 11.21 ×10^-24cm³; (12)Surface Tension: 23.9 dyne/cm; (13)Density: 1.271 g/cm³; (14)Flash Point: 18.3 °C; (15)Enthalpy of Vaporization: 29.33 kJ/mol; (16)Boiling Point: 73.2 °C at 760 mmHg; (17)Vapour Pressure: 126 mmHg at 25°C.

Preparation of tert-Butyl bromide: it can be prepared by 2-chloro-2-methyl-propane. This reaction will need reagent HBr, catalyst FeBr₃ and solvent CH₂Cl₂. The reaction time is 0.2 hour at reaction temperature of 25 °C. The yield is about 98%.

Uses of tert-Butyl bromide: it can react with thiocyanic acid; potassium salt to get tert-butyl thiocyanate. This reaction will need reagents silica and alumina, and solvent hexane. The reaction time is 3 hours at reaction temperature of 50 °C. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You should keep away from sources of ignition - No smoking. In addition, you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C)(C)C
(2)Std. InChI: InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3
(3)Std. InChIKey: RKSOPLXZQNSWAS-UHFFFAOYSA-N

The toxicity data is as follows: