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CAS 79630-23-2

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3-Bromo-4-fluorobenzonitrile

Description:
3-Bromo-4-fluorobenzonitrile is an organic compound characterized by the presence of both bromine and fluorine substituents on a benzene ring, along with a nitrile functional group. Its molecular structure consists of a benzene ring with a bromine atom at the meta position (3-position) and a fluorine atom at the para position (4-position) relative to the nitrile group (-C≡N). This compound typically appears as a solid and is known for its utility in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the bromine and fluorine atoms can influence its reactivity and polarity, making it a valuable intermediate in various chemical reactions. Additionally, 3-Bromo-4-fluorobenzonitrile may exhibit specific physical properties such as melting and boiling points, solubility in organic solvents, and stability under standard conditions. Safety precautions should be taken when handling this compound, as it may pose health risks due to its halogenated nature.
Formula:C7H3BrFN
InChI:InChI=1S/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChI key:InChIKey=JKCYKISVUIVZCS-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(Br)=C(F)C=C1
Synonyms:
  • 2,2-Difluoroethanamine hydrochloride (1:1)
  • 4-Cyano-1-fluoro-2-bromobenzene
  • 4-Fluoro-3-bromobenzonitrile
  • Benzonitrile, 3-bromo-4-fluoro-
  • Ethanamine, 2,2-Difluoro-, Hydrochloride (1:1)
  • 3-Bromo-4-fluorobenzonitrile
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