3-Bromo-2-trifluoromethylpyridine

The CAS register number of 3-Bromo-2-trifluoromethylpyridine is 590371-58-7. It also can be called as Pyridine, 3-bromo-2-(trifluoromethyl)- and the IUPAC name about this chemical is 3-bromo-2-(trifluoromethyl)pyridine. The molecular formula about this chemical is C₆H₃BrF₃N and molecular weight is 225.99. It belongs to the following product categories which include Halides; Pyrazoles & Triazoles; Pyridines; Thiophenes & Benzothiophenes; Phenyls & Phenyl-Het; Pyridine series; Fused Ring Systems; Thiophenes & Benzothiophenes; Phenyls & Phenyl-Het; Pyrazoles & Triazoles and so on.

Physical properties about 3-Bromo-2-trifluoromethylpyridine are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 27.187; (5)ACD/BCF (pH 7.4): 27.187; (6)ACD/KOC (pH 5.5): 370.108; (7)ACD/KOC (pH 7.4): 370.108; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89Ų; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 37.014 cm³; (12)Molar Volume: 132.353 cm³; (13)Polarizability: 14.674x10^-24cm³; (14)Surface Tension: 29.758 dyne/cm; (15)Enthalpy of Vaporization: 38.521 kJ/mol; (16)Boiling Point: 165.231 °C at 760 mmHg; (17)Vapour Pressure: 2.486 mmHg at 25°C.

Preparation: this chemical can be prepared by Trifluoromethyltrimethylsilane and 3-bromo-2-iodo-pyridine. This reaction will need reagent copper(I) iodide, potassium fluoride and solvent 1-methyl-pyrrolidin-2-one. The reaction temperature is 25 ℃. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(nc1)C(F)(F)F)Br
(2)InChI: InChI=1/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
(3)InChIKey: SMZAZDGFGOHROS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
(5)Std. InChIKey: SMZAZDGFGOHROS-UHFFFAOYSA-N