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CAS 82104-75-4

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3-Bromo-1,3-dihydro-1-oxo-5-isobenzofurancarbonitrile

Description:
3-Bromo-1,3-dihydro-1-oxo-5-isobenzofurancarbonitrile is a chemical compound characterized by its unique structure, which includes a bromine atom, a carbonitrile functional group, and a fused isobenzofuran moiety. This compound typically exhibits a solid state at room temperature and is often used in organic synthesis and medicinal chemistry due to its potential biological activity. The presence of the carbonitrile group suggests that it may participate in nucleophilic reactions, while the isobenzofuran structure can contribute to its aromatic properties and stability. Additionally, the bromine substituent can enhance reactivity and influence the compound's electronic properties. As with many organic compounds, its solubility may vary depending on the solvent used, and it may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, this compound represents a valuable entity in the realm of synthetic organic chemistry.
Formula:C9H4BrNO2
InChI:InChI=1S/C9H4BrNO2/c10-8-7-3-5(4-11)1-2-6(7)9(12)13-8/h1-3,8H
InChI key:InChIKey=GXRRHCPEMYNHOM-UHFFFAOYSA-N
SMILES:BrC1C=2C(C(=O)O1)=CC=C(C#N)C2
Synonyms:
  • 1-Bromo-6-cyano-1,3-dihydro-3-oxoisobenzofuran
  • 3-Bromo-1,3-dihydro-1-oxo-5-isobenzofurancarbonitrile
  • 3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
  • 3-Bromo-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
  • 5-Isobenzofurancarbonitrile, 3-bromo-1,3-dihydro-1-oxo-
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