3-Nitrophenylboronic acid pinacol ester supplier

Name
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE
EINECS
CAS No. 68716-48-3
Article Data22
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 76-80 °C(lit.)
Formula C₁₂H₁₆BNO₄
Boiling Point 351.7 °C at 760 mmHg
Molecular Weight 249.074
Flash Point 166.5 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE;
PSA 64.28000
LogP 2.41720

3-Nitrophenylboronic acid pinacol ester Specification

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

Product Name

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE

3-Nitrophenylboronic acid pinacol ester Specification

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