2-Cyanophenylboronic acid

The 2-Cyanophenylboronic acid, with the CAS registry number 138642-62-3, is also known as AC1MC1J2. It belongs to the product categories of Nitrile; Blocks; Boronic Acids; Carboxes; Substituted Boronic Acids; Boronic Acids;Boronic Acid; Boronic Acid Series; Aryl; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C₇H₆BNO₂ and molecular weight is 146.93904. Its IUPAC name is called (2-cyanophenyl)boronic acid. The product should be sealed and stored in cool and dry place.

Physical properties of 2-Cyanophenylboronic acid: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 0.92; (4)ACD/BCF (pH 5.5): 3.53; (5)ACD/BCF (pH 7.4): 2.8; (6)ACD/KOC (pH 5.5): 85.84; (7)ACD/KOC (pH 7.4): 68.08; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 37.85 cm³; (13)Molar Volume: 117 cm³; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.25 g/cm³; (16)Flash Point: 181.4 °C; (17)Enthalpy of Vaporization: 65.83 kJ/mol; (18)Boiling Point: 376.4 °C at 760 mmHg; (19)Vapour Pressure: 2.47E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC=CC=C1C#N)(O)O
(2)InChI: InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H
(3)InChIKey: NPLZNDDFVCGRAG-UHFFFAOYSA-N