3-Tolylboronic acid

The 3-Tolylboronic acid, with the CAS registry number 17933-03-8, is also known as 3-Methylphenyl boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid series; Boron, Nitrile, Thio,& TM-Cpds; Substituted Boronic Acids; Aryl; Organoborons; B (Classes of Boron Compounds); Chiral Chemicals; Organic or Inorganic Borate. This chemical's molecular formula is C₇H₉BO₂ and molecular weight is 135.96. What's more, its systematic name is (3-methylphenyl)boronic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 3-Tolylboronic acid are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 21.24; (6)ACD/BCF (pH 7.4): 20.06; (7)ACD/KOC (pH 5.5): 310.11; (8)ACD/KOC (pH 7.4): 292.94; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 37.91 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 15.02×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 55.95 kJ/mol; (21)Boiling Point: 290.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000954 mmHg at 25°C.

Uses of 3-Tolylboronic acid: it can be used to produce 5-m-tolyl-nicotinic acid methyl ester at the temperature of 100 °C. It will need reagent NEt₃ and solvent dimethylformamide with the reaction time of 3 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
It 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 wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccc(c1)C
(2)Std. InChI: InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3
(3)Std. InChIKey: BJQCPCFFYBKRLM-UHFFFAOYSA-N