(4-TRIFLUOROMETHOXY-PHENYL)-(4-TRIFLUOROMETHYL-PHENYL)-METHANONE

The Methanone, [4-(trifluoromethoxy)phenyl][4-(trifluoromethyl)phenyl]-, with the CAS registry number of 34367-37-8, is also known as 4-(Trifluoromethoxy)-4'-(trifluoromethyl)-benzophenone and 4-(Trifluoromethyl)-4'-(trifluoromethoxy)benzophenone. Its EINECS registry number is 251-967-2. This chemical's molecular formula is C₁₅H₈F₆O₂ and molecular weight is 334.21. What's more, its IUPAC name is [4-(Trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methanone.

Physical properties about Methanone, [4-(trifluoromethoxy)phenyl][4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 5622.77; (6)ACD/BCF (pH 7.4): 5622.77; (7)ACD/KOC (pH 5.5): 16819.23; (8)ACD/KOC (pH 7.4): 16819.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 68.16 cm³; (15)Molar Volume: 241.4 cm³; (16)Surface Tension: 29.8 dyne/cm; (17)Density: 1.384 g/cm³; (18)Flash Point: 145.4 °C; (19)Enthalpy of Vaporization: 56.69 kJ/mol; (20)Boiling Point: 324.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000239 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 4-Trifluoromethyl-benzoyl chloride with Phenyl-trifluoromethyl ether. This reaction needs reagents HF and BF₃. The reaction time is 4 hours with reaction temperature of 30 °C. The yield is about 90 %.

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. During 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: FC(F)(F)Oc1ccc(cc1)C(=O)c2ccc(cc2)C(F)(F)F
(2) InChI: InChI=1/C15H8F6O2/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)23-15(19,20)21/h1-8H
(3) InChIKey: IFWYIEORVOEKNA-UHFFFAOYAD