5,6-Dichloro-2-methylbenzimidazole

The 5,6-Dichloro-2-methylbenzimidazole is an organic compound with the formula C₈H₆Cl₂N₂. The systematic name of this chemical is 5,6-dichloro-2-methyl-1H-benzimidazole. With the CAS registry number 6478-79-1, it is also named as 1H-benzimidazole, 5,6-dichloro-2-methyl-. The product's category is Imidazol & Benzimidazole.

Physical properties about 5,6-Dichloro-2-methylbenzimidazole are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.43; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 40.89; (5)ACD/BCF (pH 7.4): 41.91; (6)ACD/KOC (pH 5.5): 491.69; (7)ACD/KOC (pH 7.4): 503.9; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 51.23 cm³; (13)Molar Volume: 135.2 cm³; (14)Polarizability: 20.31×10^-24cm³; (15)Surface Tension: 58.5 dyne/cm; (16)Density: 1.486 g/cm³; (17)Flash Point: 233.5 °C; (18)Enthalpy of Vaporization: 63.54 kJ/mol; (19)Boiling Point: 409 °C at 760 mmHg; (20)Vapour Pressure: 1.59E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid and 4,5-dichloro-benzene-1,2-diamine. The reaction time is 4 hours. The yield is about 76%.

Uses of 5,6-Dichloro-2-methylbenzimidazole: it can be used to produce 5,6-dichloro-1-heptyl-2-methyl-1H-benzoimidazole. It will need reagent NaOH and solvent adimethylsulfoxide with reaction time of 1 day. The yield is about 44%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(nc(n1)C)cc2Cl
(2)InChI: InChI=1/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
(3)InChIKey: WMOBNOCVMZFPEN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
(5)Std. InChIKey: WMOBNOCVMZFPEN-UHFFFAOYSA-N