4-TRIFLUOROMETHYL-2,3,5,6-TETRAFLUOROTHIOPHENOL

The Benzenethiol, 2, 3, 5, 6-tetrafluoro-4-(trifluoromethyl)-, with the CAS registry number 651-84-3, is also known as 4-(Trifluoromethyl)-2, 3, 5, 6-tetrafluorothiophenol. This chemical's molecular formula is C₇HF₇S and molecular weight is 250.14. What's more, its systematic name is 2, 3, 5, 6-Tetrafluoro-4-(trifluoromethyl)benzenethiol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant.

Physical properties about Benzenethiol, 2, 3, 5, 6-tetrafluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.18; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.41; (8)ACD/KOC (pH 7.4): 1.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 39.38 cm³; (15)Molar Volume: 152.3 cm³; (16)Polarizability: 15.61×10^-24 cm³; (17)Surface Tension: 25.2 dyne/cm; (18)Density: 1.641 g/cm³; (19)Flash Point: 60 °C; (20)Enthalpy of Vaporization: 38.92 kJ/mol; (21)Boiling Point: 169.5 °C at 760 mmHg; (22)Vapour Pressure: 2.04 mmHg at 25 °C.

Uses of Benzenethiol, 2, 3, 5, 6-tetrafluoro-4-(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 1-Difluoromethylsulfanyl-2, 3, 5, 6-tetrafluoro-4-trifluoromethyl-benzene. The reaction needs reagent NaOH. Meanwhile, it needs solvents Dioxane and H₂O. The reaction time is 3 hours with reaction temperature of 45 °C. The yield is about 96 %.

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. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable 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: Fc1c(c(F)c(F)c(S)c1F)C(F)(F)F
(2) InChI: InChI=1/C7HF7S/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
(3) InChIKey: BXMOMKVOHOSVJH-UHFFFAOYAS