2-Trifluoromethoxyphenol

The IUPAC name of 2-Trifluoromethoxyphenol is 2-(trifluoromethoxy)phenol. With the CAS registry number 32858-93-8, it is also named as 2-Hydroxytrifluoromethoxybenzene. The product's categories are Trifluoroanisole Series; Aromatic Phenols; Phenol & Thiophenol & Mercaptan. Besides, it is colorless transparent liquid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. In addition, its molecular formula is C₇H₅F₃O₂ and molecular weight is 178.11.

The other characteristics of 2-Trifluoromethoxyphenol can be summarized as: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 28.71; (6)ACD/BCF (pH 7.4): 25.01; (7)ACD/KOC (pH 5.5): 384.59; (8)ACD/KOC (pH 7.4): 335.03; (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: 1.462; (14)Molar Refractivity: 35.26 cm³; (15)Molar Volume: 128.2 cm³; (16)Polarizability: 13.98×10^-24cm³; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.388 g/cm³; (19)Flash Point: 81 °C; (20)Enthalpy of Vaporization: 40.97 kJ/mol; (21)Boiling Point: 156.8 °C at 760 mmHg; (22)Vapour Pressure: 2.2 mmHg at 25 °C.

Preparation of 2-Trifluoromethoxyphenol: this chemical can be prepared by phenyl-trifluoromethyl ether.



This reaction needs sec-butyllithium, N,N,N',N'-tetramethylethylenediamine, fluorodimethoxyborane diethyl ether aq. NaOH, aq. H₂O₂, cyclohexane and tetrahydrofuran at temperature of -75 °C. The reaction time is 2 hours. The yield is 88 %.

When you are using this chemical, please be cautious about it as the following: it is flammable that may cause burns. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)Oc1ccccc1O
(2)InChI:  InChI=1/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
(3)InChIKey: GQWMNVOVQZIPJC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
(5)Std. InChIKey: GQWMNVOVQZIPJC-UHFFFAOYSA-N