2,5,6-TRIMETHYLBENZIMIDAZOLE

The CAS register number of 1H-Benzimidazole,2,5,6-trimethyl- is 3363-56-2. It also can be called as 2,5,6-Trimethylbenzimidazole and the systematic name about this chemical is 2,5,6-trimethyl-1H-benzimidazole. The molecular formula about this chemical is C₁₀H₁₂N₂ and the molecular weight is 160.22. It belongs to the following product categories which include Benzimidazole; Imidazol & Benzimidazole and so on.

Physical properties about 1H-Benzimidazole,2,5,6-trimethyl- are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 0.95; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 1.31; (5)ACD/BCF (pH 7.4): 31.2; (6)ACD/KOC (pH 5.5): 15.31; (7)ACD/KOC (pH 7.4): 364.99; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 51.09 cm³; (13)Molar Volume: 143.9 cm³; (14)Polarizability: 20.25x10^-24cm³; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.113 g/cm³; (17)Flash Point: 194.8 °C; (18)Enthalpy of Vaporization: 58.99 kJ/mol; (19)Boiling Point: 367.5 °C at 760 mmHg; (20)Vapour Pressure: 2.87E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by acetic acid and 4,5-dimethyl-benzene-1,2-diamine. This reaction will need reagent of aqueous HCl.

Uses of 1H-Benzimidazole,2,5,6-trimethyl-: it can be used to produce C₃₁H₃₄N₆ with trichloromethane. This reaction is a kind of . This reaction will need reagent of KOH, tetrabutylammonium bromide. The reaction time is 0.5 hour with ambient temperature. The yield is about 31%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. If you want to use this chemical, wear suitable protective clothing. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1cc(c(cc1nc2C)C)C
(2)InChI: InChI=1/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: AFNRMRFWCAJQGP-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
(5)Std. InChIKey: AFNRMRFWCAJQGP-UHFFFAOYSA-N