ChemicalBook--->CAS DataBase List--->957062-84-9

957062-84-9

957062-84-9 Structure

957062-84-9 Structure
IdentificationBack Directory
[Name]

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
[CAS]

957062-84-9
[Synonyms]

_x000D_2-Methyl-5-nitrophenylboronic Acid Pinacol Ester
4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methyl-5-nitrophenylboronate
2-(2-Methyl-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)toluene
[Molecular Formula]

C13H18BNO4
[MDL Number]

MFCD09027081
[MOL File]

957062-84-9.mol
[Molecular Weight]

263.1
Chemical PropertiesBack Directory
[Boiling point ]

378.9±35.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/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
[InChIKey]

LYFUUPOOXAXEEP-UHFFFAOYSA-N
[SMILES]

O1C(C)(C)C(C)(C)OB1C1=CC([N+]([O-])=O)=CC=C1C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
[WGK Germany ]

WGK 3
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane(957062-84-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

In a dry reaction flask, a mixture of aniline (3 mmol) and 14% HBr (6 ml) is cooled to 0 °C. A solution of NaNO2 (3 mmol, 1.1 equiv.) in water (2.4 ml) is slowly added to the above reaction mixture, taking care not to raise the temperature above 0 °C duri
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