5-Bromo-4-chloroquinazoline

The 5-Bromo-4-chloroquinazoline, with the CAS registry number 2148-38-1, is also known as Quinazoline, 5-bromo-4-chloro-. This chemical's molecular formula is C₈H₄BrClN₂ and molecular weight is 243.4878. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-4-chloroquinazoline.

Physical properties about5-Bromo-4-chloroquinazoline are: (1)ACD/LogP: 2.45; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 43.15; (6)ACD/BCF (pH 7.4): 43.15; (7)ACD/KOC (pH 5.5): 515.18; (8)ACD/KOC (pH 7.4): 515.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 52.86 cm³; (15)Molar Volume: 138.1 cm³; (16)Surface Tension: 60.8 dyne/cm; (17)Density: 1.762 g/cm³; (18)Flash Point: 159.2 °C; (19)Enthalpy of Vaporization: 56.01 kJ/mol; (20)Boiling Point: 339.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000178 mmHg at 25°C; (22)Polarizability: 20.95×10^-24cm³.

Preparation of 5-Bromo-4-chloroquinazoline: this chemical can be prepared by 5-Bromo-3H-quinazolin-4-one. This reaction needs reagents POCl₃, N,N,4-trimethylaniline and solvent CHCl₃. The reaction time is 16 hours. The yield is 81%.

Uses of 5-Bromo-4-chloroquinazoline: it can react with 2-Bromo-ethylamine and Hydrobromide to give 10-bromo-2,3-dihydro-imidazo[1,2-c]quinazoline. The reaction occurs with reagent NaHCO₃ and other condition of heating for 66 hours. The yield is 98%.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc1cccc(Br)c12
(2) InChI: InChI=1/C8H4BrClN2/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H
(3) InChIKey: XCVRQUJTALTMRU-UHFFFAOYAD