4-Fluoro-2-methylphenylboronic acid

The Boronicacid, B-(4-fluoro-2-methylphenyl)-, with the CAS registry number 139911-29-8, is also known as (2-Methyl-4-fluorophenyl)boronic acid. It belongs to the product categories of Halide; Blocks; Boronic Acids; FluoroCompounds; Boronic Acid series; Boronic Acids & Esters; Phenyls & Phenyl-Het; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids and Derivatives. This chemical's molecular formula is C₇H₈BFO₂ and molecular weight is 153.95. What's more, its systematic name is (4-Fluoro-2-methylphenyl)boronic acid. It should be sealed and stored at the temperature of 4 °C. Moreover, it should be protected from oxides.

Physical properties of Boronicacid, B-(4-fluoro-2-methylphenyl)- are: (1)ACD/LogP: 1.793; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.56; (6)ACD/BCF (pH 7.4): 12.98; (7)ACD/KOC (pH 5.5): 224.88; (8)ACD/KOC (pH 7.4): 215.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 38.024 cm³; (15)Molar Volume: 128.012 cm³; (16)Polarizability: 15.074×10^-24cm³; (17)Surface Tension: 37.76 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 121.581 °C; (20)Enthalpy of Vaporization: 54.503 kJ/mol; (21)Boiling Point: 277.423 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

Uses of Boronicacid, B-(4-fluoro-2-methylphenyl)-: it can be used to produce (2-chloro-phenyl)-[2-(4-fluoro-2-methyl-phenyl)-9-methyl-9H-purin-6-yl]-amine. It will need reagents Pd(PPh₃)₄, aq. NaHCO₃ and solvent dioxane. The yield is about 75%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(c(B(O)O)cc1)C
(2)Std. InChI: InChI=1S/C7H8BFO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3
(3)Std. InChIKey: IQMLIVUHMSIOQP-UHFFFAOYSA-N