4-Chloro-3-nitrophenylboronic acid

The 4-Chloro-3-nitrophenylboronic acid is an organic compound with the formula C₆H₅BClNO₄. The IUPAC name of this chemical is (4-chloro-3-nitrophenyl)boronic acid. With the CAS registry number 151169-67-4, it is also named as 3-Nitro-4-chlorophenylboronic acid. The product's categories are Blocks; BoronicAcids; Substituted Boronic Acids; Boronic Acid. Besides, it should be stored in a cool closed and well-ventilated place.

Physical properties about 4-Chloro-3-nitrophenylboronic acid are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 11.03; (5)ACD/BCF (pH 7.4): 2.1; (6)ACD/KOC (pH 5.5): 191.01; (7)ACD/KOC (pH 7.4): 36.37; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.28 Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 44.14 cm³; (14)Molar Volume: 130.3 cm³; (15)Polarizability: 17.5×10^-24cm³; (16)Surface Tension: 62.1 dyne/cm; (17)Density: 1.54 g/cm³; (18)Flash Point: 186.9 °C; (19)Enthalpy of Vaporization: 66.89 kJ/mol; (20)Boiling Point: 385.4 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-06 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)B(O)O
(2)InChI: InChI=1/C6H5BClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H
(3)InChIKey: LQCCRPUZTXKDGB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5BClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H
(5)Std. InChIKey: LQCCRPUZTXKDGB-UHFFFAOYSA-N