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CAS 117572-79-9

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3-Bromo-4-methoxybenzonitrile

Description:
3-Bromo-4-methoxybenzonitrile is an organic compound characterized by its aromatic structure, which includes a bromine atom and a methoxy group attached to a benzene ring, along with a nitrile functional group. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and polarity. The methoxy group, being an electron-donating group, can enhance the nucleophilicity of the aromatic ring, making it more reactive towards electrophiles. The nitrile group (-C≡N) contributes to the compound's overall polarity and can participate in various chemical reactions, such as nucleophilic additions. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, are influenced by the functional groups present and the overall molecular structure. Safety data should be consulted for handling, as halogenated compounds can pose health risks.
Formula:C8H6BrNO
InChI:InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI key:InChIKey=QHWZMDRKTYTPEE-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(Br)=C(OC)C=C1
Synonyms:
  • Benzonitrile, 3-bromo-4-methoxy-
  • 3-Bromo-4-methoxybenzonitrile
  • 3-Bromo-4-(methyloxy)benzonitrile
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