2-(2-HYDROXYPHENYL)-1H-BENZIMIDAZOLE

The Phenol,2-(1H-benzimidazol-2-yl)-, with the CAS registry number 2963-66-8, is also known as 2-(o-Hydroxyphenyl)benzimidazole. This chemical's molecular formula is C₁₃H₁₀N₂O and molecular weight is 210.2313. Its IUPAC name is called 6-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one.

Physical properties of Phenol,2-(1H-benzimidazol-2-yl)-: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 219; (5)ACD/BCF (pH 7.4): 270; (6)ACD/KOC (pH 5.5): 1543; (7)ACD/KOC (pH 7.4): 1901; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.726; (12)Molar Refractivity: 63.093 cm³; (13)Molar Volume: 158.81 cm³; (14)Surface Tension: 66.338 dyne/cm; (15)Density: 1.324 g/cm³; (16)Flash Point: 222.429 °C; (17)Enthalpy of Vaporization: 72.897 kJ/mol; (18)Boiling Point: 444.174 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by benzene-1,2-diamine and 2-hydroxy-benzaldehyde. This reaction will need reagent ethanol and nitrobenzene.

Uses of Phenol,2-(1H-benzimidazol-2-yl)-: it can be used to produce 2-(2-butoxy-phenyl)-1H-benzoimidazole by heating. This reaction will need reagent KOH and solvent ethanol with reaction time of 4 hours. The yield is about 30 %.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2
(2)InChI: InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,14-15H
(3)InChIKey: IOJWAAXMYYMGMG-UHFFFAOYSA-N