2-BROMOBENZOPHENONE

The Methanone,(2-bromophenyl)phenyl-, with the CAS registry number of 13047-06-8, is also known as (2-Bromophenyl)(phenyl)methanone. Its molecular formula is C₁₃H₉BrO and molecular weight is 261.11. What's more, its IUPAC name is (2-Bromophenyl)-phenylmethanone. As a chemical, it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It should avoid releasing to the environment.

Physical properties about the Methanone,(2-bromophenyl)phenyl- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 283.52; (6)ACD/BCF (pH 7.4): 283.52; (7)ACD/KOC (pH 5.5): 1982.28; (8)ACD/KOC (pH 7.4): 1982.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 63.73 cm³; (15)Molar Volume: 183.7 cm³; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.421 g/cm³; (18)Flash Point: 80.4 °C; (19)Enthalpy of Vaporization: 58.97 kJ/mol; (20)Boiling Point: 345.6 °C at 760 mmHg; (21)Vapour Pressure: 6.09E-05 mmHg at 25 °C.

Preparation: this chemical can be obtained by 2-Bromo-benzoyl chloride and Benzene. This reaction needs reagent AlCl₃. The yield is about 91 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Phenyl-(2-phenyltellanyl-phenyl)-methanone. The reaction yield is about 75 %.

When you are using this chemical, please be cautious about it as the following:
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1Br)c2ccccc2
(2) InChI: InChI=1/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
(3) InChIKey: ABEVIHIQUUXDMS-UHFFFAOYAM