4-Chloro-3-cyanophenylboronic acid (871332-95-5)

The 4-Chloro-3-cyanophenylboronic acid with the cas number 871332-95-5 is also called Boronic acid,B-(4-chloro-3-cyanophenyl)-. The systematic name is (4-Chloro-3-cyanophenyl)boronic acid. Its molecular formula is C₇H₅BClNO₂. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Carboxes; (4)Boronic Acid. Its Storage condition should Keep Cold.

The properties of the chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.03  ; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 64.25 Å²; (9)Index of Refraction: 1.58; (10)Molar Refractivity: 42.68 cm³; (11)Molar Volume: 128.2 cm³; (12)Polarizability: 16.92×10^-24cm³; (13)Surface Tension: 59.7 dyne/cm; (14)Enthalpy of Vaporization: 66.3 kJ/mol; (15)Vapour Pressure: 1.83×10^-6 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Harmful by inhalation, in contact with skin and if swallowed ; (2)Irritating to eyes, respiratory system and skin; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)C#N)Cl)(O)O
(2)InChI: InChI=1/C7H5BClNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H
(3)InChIKey: PRPLADNLEYNYFZ-UHFFFAOYAX