2,3,4,5,6-PENTAFLUOROBENZOPHENONE

The Methanone,(2,3,4,5,6-pentafluorophenyl)phenyl-, with the CAS registry number of 1536-23-8, is also known as (Pentafluorophenyl)(phenyl)methanone. It belongs to the product categories of C13 to C14; Carbonyl Compounds; Ketones. Its EINECS registry number is 216-258-4. Its molecular formula is C₁₃H₅F₅O and molecular weight is 272.17. What's more, its IUPAC name is (2,3,4,5,6-Pentafluorophenyl)-phenylmethanone. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the Methanone,(2,3,4,5,6-pentafluorophenyl)phenyl- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/BCF (pH 5.5): 32.34; (5)ACD/BCF (pH 7.4): 32.34; (6)ACD/KOC (pH 5.5): 419.11; (7)ACD/KOC (pH 7.4): 419.11; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 56.01 cm³; (14)Molar Volume: 188.5 cm³; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.443 g/cm³; (17)Flash Point: 131 °C; (18)Enthalpy of Vaporization: 54.88 kJ/mol; (19)Boiling Point: 308.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000695 mmHg at 25 °C.

Preparation: this chemical can be obtained by Benzoyl chloride and Pentafluoro-iodo-benzene. The reaction needs reagent ZnCl₂ and solvent THF. The reaction temperature is -60 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2,3,4,5,6-Pentafluorthiobenzophenon. This reaction needs reagent Bis(tricyclohexylstannyl)sulfane/BCl₃. Meanwhile, it needs solvent Toluene. The reaction time is 25 h. The yield is about 56 %.

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

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(F)c(F)c(F)c1F)C(=O)c2ccccc2
(2) InChI: InChI=1/C13H5F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5H
(3) InChIKey: HCCPWBWOSASKLG-UHFFFAOYAF