4-Chloro-2-fluorophenol

The 4-Chloro-2-fluorophenol with cas registry number of 348-62-9 is also known as 2-Fluoro-4-chlorophenol. Both its systematic name and IUPAC name are the same which is called 4-Chloro-2-fluorophenol. It is clear colorless to light yellow liquid. It belongs to the following classes: Phenol & Thiophenol & Mercaptan; Chlorine Compounds; Fluorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds. This compound is used as medicine; Pesticide and LCD material intermediates.

The physical properties about this chemical are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 28.24; (6)ACD/BCF (pH 7.4): 24.87; (7)ACD/KOC (pH 5.5): 380.11; (8)ACD/KOC (pH 7.4): 334.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 33.02 cm³; (14)Molar Volume: 104 cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.408 g/cm³; (17)Flash Point: 81.1 °C; (18)Enthalpy of Vaporization: 44 kJ/mol; (19)Boiling Point: 186.5 °C at 760 mmHg; (20)Vapour Pressure: 0.482 mmHg at 25°C; (21)Refractive index: n20/D 1.536(lit.); (22)Water solubility: insoluble.

Preparation of 4-Chloro-2-fluorophenol: 4-chloro-phenol can make this chemical with reagent N-fluoro-3, 5-dichloropyridinium triflate and solvent 1, 2-dichloro-ethane. The reaction time is 23 hours with 52% yield.

Uses of 4-Chloro-2-fluorophenol: it can react with iodoethane to prepare 4-chloro-1-ethoxy-2-fluoro-benzene by using reagent K₂CO₃ and solvent Acetone. And the yield is about 99%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. 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: Fc1cc(Cl)ccc1O;
(2)InChI: InChI=1/C6H4ClFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H;
(3)InChIKey: ZKMUKBBWORLNLA-UHFFFAOYAW