N-BENZOYLIMIDAZOLE

The IUPAC name of Methanone,1H-imidazol-1-ylphenyl- is imidazol-1-yl(phenyl)methanone. With the CAS registry number 10364-94-0, it is also named as N-Benzoylimidazole. The product's categories are Imidazol & Benzimidazole; Intermediates. Besides, it is slightly coloured oil, which should be stored in sealed, cold and dry place. In addition, its molecular formula is C₁₀H₈N₂O and molecular weight is 172.18.

The other characteristics of this product can be summarized as: (1)EINECS: 233-805-2; (2)ACD/LogP: 1.16; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.15; (5)ACD/LogD (pH 7.4): 1.16; (6)ACD/BCF (pH 5.5): 4.41; (7)ACD/BCF (pH 7.4): 4.47; (8)ACD/KOC (pH 5.5): 100.27; (9)ACD/KOC (pH 7.4): 101.68; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 34.89 Å²; (14)Index of Refraction: 1.604; (15)Molar Refractivity: 51.39 cm³; (16)Molar Volume: 149.2 cm³; (17)Polarizability: 20.37×10^-24cm³; (18)Surface Tension: 46.7 dyne/cm; (19)Density: 1.15 g/cm³; (20)Flash Point: 157 °C; (21)Enthalpy of Vaporization: 57.92 kJ/mol; (22)Boiling Point: 336 °C at 760 mmHg; (23)Vapour Pressure: 0.000115 mmHg at 25 °C.

Preparation of Methanone,1H-imidazol-1-ylphenyl-: this chemical can be prepared by Benzoyl chloride and 1H-Imidazole.



This reaction needs Benzene at temperature of 20 °C. The reaction time is 24 hours. The yield is 94 %.

Uses of Methanone,1H-imidazol-1-ylphenyl-: it can react with Thiophene to get Phenyl-thiophen-2-yl-methanone.



This reaction needs Trifluoroacetic acid by heating for 5 hours. The yield is 80 %.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c1ccccc1)n2ccnc2
(2)InChI: InChI=1/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: JEGIFBGJZPYMJS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H
(5)Std. InChIKey: JEGIFBGJZPYMJS-UHFFFAOYSA-N