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Phenol,2-(1H-benzimidazol-2-yl)-

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Name

Phenol,2-(1H-benzimidazol-2-yl)-

EINECS N/A
CAS No. 2963-66-8 Density 1.289 g/cm3
PSA 48.91000 LogP 2.93550
Solubility N/A Melting Point 239-243 °C
Formula C13H10N2O Boiling Point 444.174 °C at 760 mmHg
Molecular Weight 210.235 Flash Point 222.429 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 2963-66-8 (2-(2-HYDROXYPHENYL)-1H-BENZIMIDAZOLE) Hazard Symbols HarmfulXn
Synonyms

Phenol,o-2-benzimidazolyl- (6CI,7CI,8CI);2-(1H-Benzimidazol-2-yl)phenol;2-(2-Benzimidazolyl)phenol;2-(2-Hydroxyphenyl)-1H-benzimidazole;2-(2-Hydroxyphenyl)-3H-benzimidazole;2-(2-Hydroxyphenyl)benzimidazole;2-(2'-Hydroxyphenyl)benzimidazole;2-(o-Hydroxyphenyl)benzimidazole;HBI;NSC32819;

Article Data 167

Phenol,2-(1H-benzimidazol-2-yl)- Specification

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

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