3,3'-BIS(TRIFLUOROMETHYL)BENZOPHENONE

This chemical is called Methanone, bis[3-(trifluoromethyl)phenyl]-, and its systematic name is bis[3-(trifluoromethyl)phenyl]methanone. With the molecular formula of C₁₅H₈F₆O, its CAS registry number is 1868-00-4. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Methanone, bis[3-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6187.09; (6)ACD/BCF (pH 7.4): 6187.09; (7)ACD/KOC (pH 5.5): 18011.01; (8)ACD/KOC (pH 7.4): 18011.01; (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: 1.474; (14)Molar Refractivity: 66 cm³; (15)Molar Volume: 234.5 cm³; (16)Polarizability: 26.16×10^-24cm³; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 1.356 g/cm³; (19)Flash Point: 126 °C; (20)Enthalpy of Vaporization: 57.1 kJ/mol; (21)Boiling Point: 328.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000188 mmHg at 25°C.

Production method of this chemical: The Methanone, bis[3-(trifluoromethyl)phenyl]- could be obtained by the reactants of piperidine-1-carboxylic acid ethyl ester and C₇H₄F₃Li. This reaction needs the solvent of diethyl. The yield is 82 %.

Uses of this chemical: The Methanone, bis[3-(trifluoromethyl)phenyl]- could react with cyanomethyl-phosphonic acid diethyl ester, and obtain the 3,3-bis-(3-trifluoromethyl-phenyl)-acrylonitrile. This reaction needs the reagent of NaH, and the solvent of 1,2-dimethoxy-ethane. The yield is 86 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c2cccc(C(=O)c1cccc(c1)C(F)(F)F)c2
2.InChI: InChI=1/C15H8F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8H
3.InChIKey: POOXOHISLGOAEF-UHFFFAOYAW