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CAS 76574-41-9

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2-Bromo-6-methylbenzeneacetonitrile

Description:
2-Bromo-6-methylbenzeneacetonitrile, with the CAS number 76574-41-9, is an organic compound characterized by its aromatic structure, which includes a bromine atom and a nitrile functional group. This compound features a benzene ring substituted at the 2-position with a bromine atom and at the 6-position with a methyl group, along with an acetonitrile group (-C≡N) attached to the benzene. The presence of the bromine atom contributes to its reactivity, making it useful in various chemical synthesis processes, particularly in nucleophilic substitution reactions. The nitrile group imparts polar characteristics, enhancing its solubility in polar solvents. Additionally, 2-Bromo-6-methylbenzeneacetonitrile may exhibit biological activity, which can be of interest in pharmaceutical research. Its physical properties, such as melting point, boiling point, and density, are influenced by its molecular structure and substituents. Overall, this compound serves as a valuable intermediate in organic synthesis and may have applications in materials science and medicinal chemistry.
Formula:C9H8BrN
InChI:InChI=1S/C9H8BrN/c1-7-3-2-4-9(10)8(7)5-6-11/h2-4H,5H2,1H3
InChI key:InChIKey=HIJUASBMEGOWEV-UHFFFAOYSA-N
SMILES:C(C#N)C1=C(Br)C=CC=C1C
Synonyms:
  • 2-Bromo-6-methylbenzeneacetonitrile
  • 2-(2-Bromo-6-methylphenyl)acetonitrile
  • Benzeneacetonitrile, 2-bromo-6-methyl-
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