3-Trifluoromethoxyphenylboronic acid

The CAS register number of 3-(Trifluoromethoxy)phenylboronic acid is 179113-90-7. It also can be called as Boronic acid, B-[3-(trifluoromethoxy)phenyl]- and the IUPAC name about this chemical is [3-(trifluoromethoxy)phenyl]boronic acid. The molecular formula about this chemical is C₇H₆BF₃O₃ and the molecular weight is 205.93. It belongs to the following product categories, such as Blocks; BoronicAcids; FluoroCompounds; Boronic Acid series; Substituted Boronic Acids; Aryl; Boronic acid; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Chiral Chemicals; Boronic Acids; Boronic Acids and Derivatives and so on. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place, the storage temperature need at 0-6 °C. When you are using it, please avoid contact with oxides.

Physical properties about 3-(Trifluoromethoxy)phenylboronic acid are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.53; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 49.52; (5)ACD/BCF (pH 7.4): 24.67; (6)ACD/KOC (pH 5.5): 566.44; (7)ACD/KOC (pH 7.4): 282.21; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 27.69Ų; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 40.02 cm³; (14)Molar Volume: 145.6 cm³; (15)Polarizability: 15.86x10^-24cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 53.31 kJ/mol; (18)Boiling Point: 266.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00425 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-3-(trifluoromethoxy)benzene. This reaction will need reagent butyllithium, fluorodimethoxyborane diethyl ether, H₂O and solvent diethyl ether, hexane, hexane, diethyl ether, hexane, diethyl ether. The reaction time is 45 min//15 min with reaction temperature of -75//-75 ℃. The reaction steps is 3. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: FC(F)(F)Oc1cccc(c1)B(O)O
(2)InChI: InChI=1/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
(3)InChIKey: UWDFWVLAHRQSKK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
(5)Std. InChIKey: UWDFWVLAHRQSKK-UHFFFAOYSA-N