2-(Trifluormethoxy)phenylboronic acid

This product is an organic compound with the formula C₇H₆BF₃O₃. The systematic name of this chemical is 2-(Trifluormethoxy)phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; FluoroCompounds; Substituted Boronic Acids; Heterocyclic Compounds; Aryl; Fluorinated; Organoborons; B (Classes of Boron Compounds); Boronic Acids and Derivatives. With the CAS registry number 175676-65-0, it is also named as Boronic acid, B-[2-(trifluoromethoxy)phenyl]-. In addition, the molecular weight is 205.93. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire.

Physical properties of 2-(Trifluormethoxy)phenylboronic acid are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 50.05; (6)ACD/BCF (pH 7.4): 42.41; (7)ACD/KOC (pH 5.5): 572.49; (8)ACD/KOC (pH 7.4): 485.09; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 40.02 cm³; (15)Molar Volume: 145.6 cm³; (16)Polarizability: 15.86×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 115.4 °C; (20)Enthalpy of Vaporization: 53.37 kJ/mol; (21)Boiling Point: 267.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00411 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1B(O)O
(2)Std. InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H
(3)Std. InChIKey: AIJCNTOYZPKURP-UHFFFAOYSA-N