4-Nitrophenylboronic acid

The 4-Nitrophenylboronic  acid is an organic compound with the formula C₆H₆BNO₄. The IUPAC name of this chemical is (4-nitrophenyl)boronic acid. With the CAS registry number 24067-17-2, it is also named as Boronic acid, B-(4-nitrophenyl)-. The product's categories are Blocks; BoronicAcids; Substituted Boronic Acids; Boronic acids; B (Classes of Boron Compounds); Aryl; Boronic Acids; Boronic Acids and Derivatives.

Physical properties about 4-Nitrophenylboronic acid are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 0.81; (4)ACD/BCF (pH 5.5): 5.76; (5)ACD/BCF (pH 7.4): 1.81; (6)ACD/KOC (pH 5.5): 120.92; (7)ACD/KOC (pH 7.4): 38.06; (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: 1.573; (13)Molar Refractivity: 39.32 cm³; (14)Molar Volume: 119.2 cm³; (15)Polarizability: 15.58×10^-24cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.4 g/cm³; (18)Flash Point: 179.8 °C; (19)Enthalpy of Vaporization: 65.51 kJ/mol; (20)Boiling Point: 373.7 °C at 760 mmHg; (21)Vapour Pressure: 3.02E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by C₂₁H₂₈BNO₄. This reaction will need reagent diethanolamine and aq. HCl. The reaction time is 30 min. The yield is about 72%.

Uses of 4-Nitrophenylboronic acid: it can be used to produce 2,2-dimethoxy-5-(4-nitro-phenyl)-indan-1,3-dione by heating. This reaction is a kind of Suzuki coupling. It will need reagent aq. 2 M Na₂CO₃ and solvent benzene, ethanol. The yield is about 66%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(B(O)O)cc1
(2)InChI: InChI=1/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
(3)InChIKey: NSFJAFZHYOAMHL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
(5)Std. InChIKey: NSFJAFZHYOAMHL-UHFFFAOYSA-N