3-Nitrophenylboronic acid pinacol ester (68716-48-3)

The 3-Nitrophenylboronic acid pinacol ester with the CAS number 68716-48-3 is also called 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-. Both the systematic name and IUPAC name are 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane. Its molecular formula is C₁₂H₁₆BNO₄.

The properties of the chemical are: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 64.28 Å²; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 65.49 cm³; (7)Molar Volume: 216.8 cm³; (8)Polarizability: 25.96×10^-24cm³; (9)Surface Tension: 38.1 dyne/cm; (10)Enthalpy of Vaporization: 57.29 kJ/mol; (11)Vapour Pressure: 8.17×10^-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. Then in case of contact with eyes, you should 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)c2cc(B1OC(C)(C)C(O1)(C)C)ccc2
(2)InChI: InChI=1/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3
(3)InChIKey: JWEAFTZTLIGAQU-UHFFFAOYAP