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2-Methyl-5-nitrobenzeneboronic acid, pinacol ester

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Name

2-Methyl-5-nitrobenzeneboronic acid, pinacol ester

EINECS N/A
CAS No. 957062-84-9 Density 1.13 g/cm3
PSA 64.28000 LogP 2.72560
Solubility N/A Melting Point N/A
Formula C13H18BNO4 Boiling Point 378.9 °C at 760 mmHg
Molecular Weight 263.101 Flash Point 182.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 957062-84-9 (4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane) Hazard Symbols N/A
Synonyms

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane;

Article Data 5

2-Methyl-5-nitrobenzeneboronic acid, pinacol ester Specification

The CAS registry number of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)- is 957062-84-9. The systematic name is 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane. In addition, the molecular formula is C13H18BNO4 and the molecular weight is 263.10. It belongs to the classes of Blocks; Boronic Acids; Nitro Compounds.

Physical properties about 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)- are: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 64.28 Å2; (4)Index of Refraction: 1.514; (5)Molar Refractivity: 70.11 cm3; (6)Molar Volume: 232.7 cm3; (7)Polarizability: 27.79 ×10-24cm3; (8)Surface Tension: 37.8 dyne/cm; (9)Density: 1.13 g/cm3; (10)Flash Point: 182.9 °C; (11)Enthalpy of Vaporization: 60.22 kJ/mol; (12)Boiling Point: 378.9 °C at 760 mmHg; (13)Vapour Pressure: 1.33E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cc(ccc2C)[N+]([O-])=O
(2)InChI: InChI=1/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
(3)InChIKey: LYFUUPOOXAXEEP-UHFFFAOYAN

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