2-Fluoro-6-methoxyphenol

The 2-Fluoro-6-methoxyphenol, with the CAS registry number 73943-41-6, has the systematic name of 2-fluoro-6-methoxyphenol. It is a kind of clear colorless to light brown liquid, and belongs to the following product categories: Phenol&Thiophenol & Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols. And the molecular formula of the chemical is C₇H₇FO₂.

The characteristics of 2-Fluoro-6-methoxyphenol are as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.64; (6)ACD/BCF (pH 7.4): 7.29; (7)ACD/KOC (pH 5.5): 149.13; (8)ACD/KOC (pH 7.4): 142.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 34.8 cm³; (15)Molar Volume: 116 cm³; (16)Polarizability: 13.79×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 47.92 kJ/mol; (21)Boiling Point: 224 °C at 760 mmHg; (22)Vapour Pressure: 0.0627 mmHg at 25°C. 

Uses of 2-Fluoro-6-methoxyphenol: It can react with 1,3,5,7-tetraaza-adamantane to produce 2-fluoroisovanillin. This reaction will need reagent trifluoroacetic acid. The reaction time is 1 hour with heating, and the yield is about 63%.

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

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(OC)c1O
(2)InChI: InChI=1/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
(3)InChIKey: YZNHPLVFLRSVHY-UHFFFAOYAY