2-Chlorobenzimidazole

The 2-Chlorobenzimidazole, with the CAS registry number 4857-06-1 and EINECS registry number 225-453-3, has the systematic name and IUPAC name of 2-chloro-1H-benzimidazole. And the molecular formula of this chemical is C₇H₅ClN₂. It is a kind of beige to brown crystalline powder which is also sensitive and moisture, and belongs to the following product categories: Benzimidazole; Pharmaceutical Intermediates; Imidazol & Benzimidazole; (Intermediates of norastemizole HCl); Benzimidazoles; Benzimidazoles Heterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. What's more, it is often used as intermediate of cerebral nerve drugs.

The physical properties of 2-Chlorobenzimidazole are as following: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 51.18; (6)ACD/BCF (pH 7.4): 53.07; (7)ACD/KOC (pH 5.5): 573.31; (8)ACD/KOC (pH 7.4): 594.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 41.51 cm³; (15)Molar Volume: 107 cm³; (16)Polarizability: 16.45×10^-24cm³; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.425 g/cm³; (19)Flash Point: 182.5 °C; (20)Enthalpy of Vaporization: 57.09 kJ/mol; (21)Boiling Point: 328.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000188 mmHg at 25°C.

Preparation of 2-Chlorobenzimidazole: This chemical can be prepared by 1,3-dihydro-benzoimidazol-2-one. The reaction will need reagent phosphoryl chloride. The reaction time is 2 hours with heating, and the yield is about 45%. 

Uses of 2-Chlorobenzimidazole: It can react with chloromethyl-thiirane to produce 2-chloro-1-thietan-3-yl-1H-benzoimidazole. This reaction will need reagent KOH, and the solvent H₂O. The reaction time is 3 hours with temperature of 60°C, and the yield is about 73%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc1ccccc1n2
(2)InChI: InChI=1/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
(3)InChIKey: AYPSHJCKSDNETA-UHFFFAOYAR