6-Bromoquinazolin-4-ol

The 6-Bromo-4-hydroxyquinazoline, with its CAS registry number 32084-59-6, has the IUPAC name of 6-bromo-1H-quinazolin-4-one. And its product categories are including Blocks; Heterocycles; Quinolines. When you are dealing with it, you should be careful, as it may cause inflammation to the skin or other mucous membranes.

The characteristics of 6-Bromo-4-hydroxyquinazoline are as follows: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 48.82 cm³; (15)Molar Volume: 123.5 cm³; (16)Polarizability: 19.35×10^-24 cm³; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.82 g/cm³; (19)Flash Point: 180.1 °C; (20)Enthalpy of Vaporization: 62.15 kJ/mol; (21)Boiling Point: 374.2 °C at 760 mmHg; (22)Vapour Pressure: 8.51E-06 mmHg at 25°C; (23)Exact Mass: 223.958525; (24)MonoIsotopic Mass: 223.958525; (25)Topological Polar Surface Area: 41.5; (26)Heavy Atom Count: 12; (27)Complexity: 229.

Production method of this chemical: formamide could react with 2-amino-5-bromo-benzoic acid to produce 6-Bromo-4-hydroxyquinazoline. This reaction could happen with the temperature of 180 ℃.

Use of this chemical: 6-Bromo-4-hydroxyquinazoline could react with bromomethyl-benzene to produce 3-benzyl-6-bromo-3H-quinazolin-4-one. This reaction could happen in the presence of the reagent of NaOMe and the solvent of methanol, and it needs 10-30 min to react with the temperature of 20 ℃.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)N=CN2
(2)InChI: InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
(3)InChIKey: OVEISJPVPHWEHR-UHFFFAOYSA-N