4,4',4''-TRIFLUOROTRITYL ALCOHOL

The CAS register number of Benzenemethanol,4-fluoro-a,a-bis(4-fluorophenyl)- is 379-57-7. It also can be called as Tris(4-fluorophenyl)carbinol and the IUPAC name about this chemical is tris(4-fluorophenyl)methanol. The molecular formula about this chemical is C₁₉H₁₃F₃O and the molecular weight is 314.30.

Physical properties about Benzenemethanol,4-fluoro-a,a-bis(4-fluorophenyl)- are: (1)ACD/LogP: 4.74; (2)ACD/LogD (pH 5.5): 4.74; (3)ACD/LogD (pH 7.4): 4.74; (4)ACD/BCF (pH 5.5): 2366.22; (5)ACD/BCF (pH 7.4): 2366.2; (6)ACD/KOC (pH 5.5): 9051.99; (7)ACD/KOC (pH 7.4): 9051.93; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 81.05 cm³; (14)Molar Volume: 242.9 cm³; (15)Polarizability: 32.13x10^-24cm³; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.293 g/cm³; (18)Flash Point: 177.5 °C; (19)Enthalpy of Vaporization: 69.68 kJ/mol; (20)Boiling Point: 408.7 °C at 760 mmHg; (21)Vapour Pressure: 2.05E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4,4'-difluoro-benzophenone and (4-fluoro-phenyl)-magnesium bromide. This reaction will need solvent of tetrahydrofuran. The reaction needs heating and the reaction time is 2 hours. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use 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. This chemical may be harmful to the environment, especially when discharged into water.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(O)(c2ccc(F)cc2)c3ccc(F)cc3
(2)InChI: InChI=1/C19H13F3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
(3)InChIKey: JALVMPWRAMMHQY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C19H13F3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
(5)Std. InChIKey: JALVMPWRAMMHQY-UHFFFAOYSA-N