4-IODOBENZOPHENONE

The CAS registry number of Methanone,(4-iodophenyl)phenyl- is 6136-66-9. The systematic name is (4-iodophenyl)(phenyl)methanone. In addition, the molecular formula is C₁₃H₉IO and the molecular weight is 308.11. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 4.38; (3)ACD/LogD (pH 7.4): 4.38; (4)ACD/BCF (pH 5.5): 1257.02; (5)ACD/BCF (pH 7.4): 1257.02; (6)ACD/KOC (pH 5.5): 5755.83; (7)ACD/KOC (pH 7.4): 5755.83; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 68.95 cm³; (13)Molar Volume: 189.6 cm³; (14)Polarizability: 27.33 ×10^-24cm³; (15)Surface Tension: 49.3 dyne/cm; (16)Density: 1.624 g/cm³; (17)Flash Point: 175.5 °C; (18)Enthalpy of Vaporization: 61.3 kJ/mol; (19)Boiling Point: 366.6 °C at 760 mmHg; (20)Vapour Pressure: 1.45E-05 mmHg at 25°C.

Preparation of Methanone,(4-iodophenyl)phenyl-: it can be prepared by 4-amino-benzophenone. This reaction will need reagents NaNO₂, 2M H₂SO₄ and KI, and solvent H₂O. The reaction should react at reaction temperature of 5 °C for 1 hour. Then it should react at room temperature for 1.5 hours. The yield is about 64%.

Uses of Methanone,(4-iodophenyl)phenyl-: it can be used to get benzophenone. This reaction will need reagents H₂ and Et₃N, catalyst 10 percent Pd/C and solvent methanol. The reaction time is 2 hours at reaction temperature of 20 °C and at reaction pressure of 760 Pa. The yield is about 99%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(I)cc1)c2ccccc2
(2)InChI: InChI=1/C13H9IO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: OCAJMURFVZWFPX-UHFFFAOYAN