3,3'-BIS(TRIFLUOROMETHYL)DIPHENYLMETHANE

The CAS registry number of Benzene,1,1'-methylenebis[3-(trifluoromethyl)- is 86845-35-4. The IUPAC name is 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]benzene. In addition, the molecular formula is C₁₅H₁₀F₆ and the molecular weight is 304.23. What's more, it is a kind of irritating chemical and should be stored in a cool and dry place.

Physical properties about Benzene,1,1'-methylenebis[3-(trifluoromethyl)- are: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6860.45; (6)ACD/BCF (pH 7.4): 6860.45; (7)ACD/KOC (pH 5.5): 19393.33; (8)ACD/KOC (pH 7.4): 19393.33; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.467; (11)Molar Refractivity: 65.52 cm³; (12)Molar Volume: 235.8 cm³; (13)Polarizability: 25.97 ×10^-24cm³; (14)Surface Tension: 26 dyne/cm; (15)Density: 1.289 g/cm³; (16)Flash Point: 90.9 °C; (17)Enthalpy of Vaporization: 48.57 kJ/mol; (18)Boiling Point: 268 °C at 760 mmHg; (19)Vapour Pressure: 0.013 mmHg at 25°C.

Preparation of Benzene,1,1'-methylenebis[3-(trifluoromethyl)-: it can be prepared by 3,3'-Bis-trifluormethyl-benzhydrol. This reaction will need reagent hydrogen, catalyst 5 percent Pd/C (70 percent perchloric acid) and solvent methanol. The reaction time is 18 hours with ambient temperature. The reaction pressure of 1520 Pa. The yield is about 54%.

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. 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)c1cccc(c1)Cc2cccc(c2)C(F)(F)F
(2)InChI: InChI=1/C15H10F6/c16-14(17,18)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(19,20)21/h1-6,8-9H,7H2
(3)InChIKey: GXGZHSTYPHZGGN-UHFFFAOYAH