2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)PHENOL

The Phenol,2,3,5,6-tetrafluoro-4-(trifluoromethyl)-, with the CAS registry number 2787-79-3, is also known as 4-Hydroxy-2,3,5,6-tetrafluorobenzotrifluoride. This chemical's molecular formula is C₇HF₇O and molecular weight is 234.07. What's more, its systematic name is 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol and it belongs to the product categories of Organic Building Blocks; Oxygen Compounds; Phenols. The product should be sealed and stored in cool and dry places.

Physical properties of Phenol,2,3,5,6-tetrafluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 21.75; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 124.36; (8)ACD/KOC (pH 7.4): 3.92; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.394; (14)Molar Refractivity: 33.08 cm³; (15)Molar Volume: 138.2 cm³; (16)Polarizability: 13.11×10^-24 cm³; (17)Surface Tension: 24.6 dyne/cm; (18)Density: 1.693 g/cm³; (19)Flash Point: 53 °C; (20)Enthalpy of Vaporization: 41.7 kJ/mol; (21)Boiling Point: 164 °C at 760 mmHg; (22)Vapour Pressure: 1.53 mmHg at 25°C; (23)XLogP: -0.1; (24)Topological Polar Surface Area: 40.5; (25)Heavy Atom Count: 8; (26)Rotatable Bond Count: 5; (27)Complexity: 41.4; (28)Covalently-Bonded Unit Count: 1.

Uses of Phenol,2,3,5,6-tetrafluoro-4-(trifluoromethyl)-: it can be used to produce a-trifluoromethylbenzyl 4-trifluoromethyltetrafluorophenyl ether at the temperature of 160 °C. After the reaction time of 2 hours, the yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(O)c1F)C(F)(F)F
(2)InChI: InChI=1/C7HF7O/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
(3)InChIKey: HZQGKHUTYHEFBT-UHFFFAOYSA-N