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CAS 863868-39-7

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

Description:
4,5-Dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a dioxaborolane group. The presence of two chlorine atoms at the 4 and 5 positions of the benzene ring contributes to its reactivity and potential applications in various chemical reactions, particularly in cross-coupling reactions in organic synthesis. The dioxaborolane group enhances its utility in boron chemistry, making it a valuable intermediate in the synthesis of more complex molecules. This compound is typically used in research and development settings, particularly in the fields of medicinal chemistry and materials science. Its properties, such as solubility, stability, and reactivity, can be influenced by the presence of the chlorine substituents and the boron-containing group. As with many chemical substances, handling should be done with care, following appropriate safety protocols due to potential toxicity and environmental impact.
Formula:C13H14BCl2NO2
InChI:InChI=1S/C13H14BCl2NO2/c1-12(2)13(3,4)19-14(18-12)9-6-11(16)10(15)5-8(9)7-17/h5-6H,1-4H3
InChI key:InChIKey=USJOSEVEPCTAMO-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C=C(Cl)C(Cl)=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Benzonitrile, 4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 4,5-Dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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