2,3,5,6-Tetrafluorophenol

The 2,3,5,6-Tetrafluorophenol, with the CAS registry number 769-39-1 and EINECS registry number 212-209-6, is also called 2,3,5,6-Tetrafluorbenzolol. And the molecular formula of this chemical is C₆H₂F₄O. It is a kind of white solid, and belongs to the following product categories: Pharmacetical; Phenol & Thiophenol & Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols. What's more, it is often used as organic reagent and intermediate of medicine.

The physical properties of 2,3,5,6-Tetrafluorophenol are as following: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 42.04; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 409.18; (8)ACD/KOC (pH 7.4): 10.29; (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: 1.449; (14)Molar Refractivity: 28.1 cm³; (15)Molar Volume: 104.7 cm³; (16)Polarizability: 11.14×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.586 g/cm³; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 39.3 kJ/mol; (21)Boiling Point: 140.2 °C at 760 mmHg; (22)Vapour Pressure: 4.97 mmHg at 25°C.

Uses of 2,3,5,6-Tetrafluorophenol: It can react with aniline to produce 2,3,5,6-tetrafluoro-4-phenylazo-phenol. This reaction will need reagents NaNO2, aq. HCl and aq. NaOH. The reaction time is 1 hour, and the yield is about 50%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)c(F)c(O)c1F
(2)InChI: InChI=1/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
(3)InChIKey: PBYIIRLNRCVTMQ-UHFFFAOYAB