5-CHLORO-1H-BENZOIMIDAZOL-2-OL

The cas register number of 5-Chloro-1,3-dihydrobenzoimidazol-2-one is 2034-23-3. It also can be called as 2H-Benzimidazol-2-one,5-chloro-1,3-dihydro- and the IUPAC Name about this chemical is 5-chloro-1,3-dihydrobenzimidazol-2-one. It belongs to the following product categories, such as Benzimidazole, pharmacetical and so on.

Physical properties about 5-Chloro-1,3-dihydrobenzoimidazol-2-one are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.901; (3)ACD/LogD (pH 7.4): 1.901; (4)ACD/BCF (pH 5.5): 16.39; (5)ACD/BCF (pH 7.4): 16.386; (6)ACD/KOC (pH 5.5): 257.646; (7)ACD/KOC (pH 7.4): 257.573; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 41.13Ų; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 40.925 cm³; (13)Molar Volume: 119.039 cm³; (14)Polarizability: 16.224x10^-24cm³; (15)Surface Tension: 46.706 dyne/cm; (16)Enthalpy of Vaporization: 39.673 kJ/mol; (17)Boiling Point: 160.118 °C at 760 mmHg; (18)Vapour Pressure: 2.422 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-5-chloro-N-hydroxy-benzamide. This reaction will need solvent formamide. The reaction time is 20 min with reaction temperature of 130 ℃. The yield is about 94.2%.

Uses of 5-Chloro-1,3-dihydrobenzoimidazol-2-one: it can be used to produce 5-chloro-6-propionyl-1,3-dihydro-benzoimidazol-2-one with propionyl chloride at temperature of 90 - 100 ℃. This reaction will need reagent AlCl₃ and solvent tetrachloroethene with reaction time of 1 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)[nH]c(=O)[nH]2
(2)InChI: InChI=1/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
(3)InChIKey: QIGIQLYKEULMQQ-UHFFFAOYAV
(4)Std.InChI: InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
(5)Std. InChIKey: QIGIQLYKEULMQQ-UHFFFAOYSA-N