4-BROMO-3,5-DICHLOROPYRIDINE

The Pyridine, 4-bromo-3, 5-dichloro-, with the CAS registry number of 343781-45-3, belongs to the product categories of Pyridine; Pyridines, Pyrimidines, Purines and Pteredines. This chemical's molecular formula is C₅H₂BrCl₂N and molecular weight is 226.89. What's more, its systematic name is called 4-Bromo-3, 5-dichloropyridine.

Physical properties about Pyridine, 4-bromo-3, 5-dichloro- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 124; (6)ACD/BCF (pH 7.4): 124; (7)ACD/KOC (pH 5.5): 1099; (8)ACD/KOC (pH 7.4): 1099; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 41.824 cm³; (15)Molar Volume: 122.743 cm³; (16)Polarizability: 16.58×10^-24 cm³; (17)Surface Tension: 48.344 dyne/cm; (18)Density: 1.848 g/cm³; (19)Flash Point: 105.393 °C; (20)Enthalpy of Vaporization: 46.82 kJ/mol; (21)Boiling Point: 250.655 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25 °C.

Preparation: this chemical is prepared by 3, 5-Dichloro-pyridine. This reaction needs reagents Diisopropylamine, Butyllithium, Bromine. Meanwhile, it needs solvents Tetrahydrofuran, Hexane, Tetrahydrofuran, Hexane. This reaction needs two steps, the reaction conditions are 1.)2 h, -75; 2.)3h, -75 °C. The yield is about 86 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Bromo-3, 5-dichloro-isonicotinic acid. This reaction needs reagent Lithium diisopropylamide. Meanwhile, it needs solvents Tetrahydrofuran and Hexane. The reaction time is 2 hours. This reaction needs two steps, the reaction conditions are 1.)-75 °C; 2.)-78 °C. The yield is about 41 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cncc(Cl)c1Br
(2) InChI: InChI=1/C5H2BrCl2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
(3) InChIKey: LOKLQBZBVPYAQO-UHFFFAOYAM