2-Benzimidazolecarboxylic acid

The 2-Benzimidazolecarboxylic acid, with the CAS registry number 2849-93-6, is also known as Benzo[d]imidazole-2-carboxylicacid. It belongs to the product categories of Benzimidazole; Benzimidazole Series; Heterocycles series; Imidazol & Benzimidazole; Carboxylic Acids; Imidazoles & Benzimidazoles. This chemical's molecular formula is C₈H₆N₂O₂ and molecular weight is 162.15. What's more, its systematic name is 1H-benzimidazole-2-carboxylic acid.

Physical properties of 2-Benzimidazolecarboxylic acid are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 43.55 cm³; (13)Molar Volume: 107.625 cm³; (14)Polarizability: 17.265×10^-24cm³; (15)Surface Tension: 85.206 dyne/cm; (16)Density: 1.507 g/cm³; (17)Flash Point: 222.318 °C; (18)Enthalpy of Vaporization: 73.956 kJ/mol; (19)Boiling Point: 443.991 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(1H-benzoimidazol-2-yl)-ethanone by heating. This reaction will need reagents aq. KMnO₄, aq. Na₂CO₃ with the reaction time of 1 hour. The yield is about 74%.

Uses of 2-Benzimidazolecarboxylic acid: it can be used to produce 1H,1'H-[2,2']bi[benzoimidazolyl] at the temperature of 180 - 190 °C. It will need reagent polyphosphoric acid with the reaction time of 3 hours. It's a reaction of condensation. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)[nH]c(n2)C(=O)O
(2)Std. InChI: InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
(3)Std. InChIKey: RHXSYTACTOMVLJ-UHFFFAOYSA-N