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CAS 61698-07-5

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2-Bromobenzenepropanenitrile

Description:
2-Bromobenzenepropanenitrile, also known by its IUPAC name, is an organic compound characterized by the presence of a bromine atom, a benzene ring, and a nitrile functional group. Its molecular structure features a propanenitrile group attached to the second position of a bromobenzene, which contributes to its reactivity and physical properties. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its moderate polarity due to the presence of the nitrile group, which can engage in hydrogen bonding and dipole interactions. 2-Bromobenzenepropanenitrile is often utilized in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. It may exhibit toxicity and should be handled with care, following appropriate safety protocols. Its reactivity can be influenced by the bromine substituent, making it a useful intermediate in nucleophilic substitution reactions. As with many organic compounds, proper storage and handling are essential to maintain its stability and prevent degradation.
Formula:C9H8BrN
InChI:InChI=1S/C9H8BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
InChI key:InChIKey=SZLHFTWIJCWDER-UHFFFAOYSA-N
SMILES:C(CC#N)C1=C(Br)C=CC=C1
Synonyms:
  • Benzenepropanenitrile, 2-bromo-
  • 3-(2-Bromophenyl)propanenitrile
  • 2-Bromobenzenepropanenitrile
  • 3-(2-Bromophenyl)propionitrile
  • Hydrocinnamonitrile, o-bromo-
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