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CAS 775351-58-1

:

3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Description:
3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS number 775351-58-1, is an organic compound characterized by its complex structure that includes a nitro group and a boron-containing moiety. The presence of the nitro group typically imparts electrophilic properties, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The dioxaborolane unit contributes to the compound's stability and solubility in organic solvents, while also serving as a versatile functional group in synthetic chemistry, particularly in cross-coupling reactions. This compound may exhibit interesting photophysical properties due to its aromatic system, which can be influenced by the substituents on the benzene ring. Additionally, its unique structure may allow for applications in materials science, pharmaceuticals, or as a building block in organic synthesis. As with many nitro compounds, it is essential to handle this substance with care, considering potential hazards associated with its reactivity and stability under various conditions.
Formula:C13H15BN2O4
InChI:InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)10-6-5-9(8-15)7-11(10)16(17)18/h5-7H,1-4H3
InChI key:InChIKey=PNQFLPGHZXHUKN-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(B2OC(C)(C)C(C)(C)O2)C=CC(C#N)=C1
Synonyms:
  • 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • 3-Nitro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • Benzonitrile, 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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