Pyridine, 3-bromo-4-ethyl- (9CI)

The Pyridine,3-bromo-4-ethyl-, with the CAS registry number 38749-76-7, is also known as 4-Ethyl-3-bromopyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C₇H₈BrN and molecular weight is 186.05. What's more, its systematic name is 3-bromo-4-ethylpyridine. 

Physical properties of Pyridine,3-bromo-4-ethyl- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 70.44; (6)ACD/BCF (pH 7.4): 71.49; (7)ACD/KOC (pH 5.5): 728.52; (8)ACD/KOC (pH 7.4): 739.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 41.58 cm³; (15)Molar Volume: 131.6 cm³; (16)Polarizability: 16.48×10^-24 cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.413 g/cm³; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 43.46 kJ/mol; (21)Boiling Point: 216.7 °C at 760 mmHg; (22)Vapour Pressure: 0.203 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-ethyl-pyridine at the temperature of 70-80 °C. This reaction will need reagents 65 percent oleum, Br₂. The yield is about 81%. 

Uses of Pyridine,3-bromo-4-ethyl-: it can be used to produce 4-ethyl-[3,4']bipyridinyl by heating. It will need reagents potassium hydroxide, tetrabutylammonium bromide and solvent tetrahydrofuran with the reaction time of 8 hours. This reaction will also need catalyst tetrakis(triphenylphosphine)palladium. The yield is about 40%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCc1ccncc1Br
(2)InChI: InChI=1/C7H8BrN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3
(3)InChIKey: BJZMHNBXROHGCM-UHFFFAOYAK