The IUPAC name of 2-Carboxyphenylboronic acid is 2-boronobenzoic acid. With the CAS registry number 149105-19-1, it is also named as 2-(Dihydroxyboryl)benzoic acid. The product's categories are Blocks; Boronic Acids; Carboxes; Substituted Boronic Acids; Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids; Heterocyclic Compounds; Aryl; Organoborons; Boronic Acid; Boronic Acids & Esters; Phenyls & Phenyl-Het. Besides, it is white powder, which should be stored in closed, cool, ventilated and dry place. In addition, its molecular formula is C₇H₇BO₄ and molecular weight is 165.94.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 39.56 cm³; (14)Molar Volume: 118 cm³; (15)Surface Tension: 62.7 dyne/cm; (16)Density: 1.4 g/cm³; (17)Flash Point: 203.2 °C; (18)Melting Point: 138-141°C; (19)Enthalpy of Vaporization: 70.11 kJ/mol; (20)Boiling Point: 412.3 °C at 760 mmHg; (21)Vapour Pressure: 1.54E-07 mmHg at 25 °C.

Uses of 2-Carboxyphenylboronic acid: it can react with 3-Bromo-pyridine to get 2-[3]Pyridyl-benzoic acid.



This reaction needs aq. Na₂CO₃, Pd(PPh₃)₄ and Acetonitrile at temperature of 90 °C for 16 hours. The yield is 43 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, 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: O=C(O)c1ccccc1B(O)O
(2)InChI: InChI=1/C7H7BO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)
(3)InChIKey: KWNPRVWFJOSGMZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H7BO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)
(5)Std. InChIKey: KWNPRVWFJOSGMZ-UHFFFAOYSA-N