1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANOL

The Benzenemethanol, 4-chloro-α-(trifluoromethyl)-, with the CAS registry number 446-66-2, is also known as 4-Chloro-a-(trifluoromethyl)benzenemethanol. This chemical's molecular formula is C₈H₆ClF₃O and molecular weight is 210.58. What's more, its IUPAC name is 1-(4-Chlorophenyl)-2, 2, 2-trifluoroethanol.

Physical properties about Benzenemethanol, 4-chloro-α-(trifluoromethyl)- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 42.69 cm³; (9)Molar Volume: 148.8 cm³ ; (10)Polarizability: 16.92×10^-24 cm³; (11)Surface Tension: 33.7 dyne/cm; (12)Density: 1.414 g/cm³; (13)Flash Point: 104.6 °C; (14)Enthalpy of Vaporization: 51.41 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0121 mmHg at 25 °C.

Preparation of Benzenemethanol, 4-chloro-a-(trifluoromethyl)-: this chemical is prepared by reaction of Bromo-trifluoro-methane with 4-Chloro-benzaldehyde. The reaction needs reagent Zinc and solvent Pyridine. The reaction time is 4 hours with reaction temperature of 40 °C. The yield is about 46 %.

Uses of Benzenemethanol, 4-chloro-a-(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 1-(4-Chloro-phenyl)-2, 2, 2-trifluoro-ethanone by heating. This reaction needs reagent NaIO4, catalyst RuCl2(biox)2 and solvent CH2Cl2. The reaction time is 7 hours and the yield is about 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(O)C(F)(F)F
(2) InChI: InChI=1/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H
(3) InChIKey: DONAZKZEGGHKRH-UHFFFAOYAG