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CAS 5757-66-4

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4-Bromo-2,6-dimethylbenzonitrile

Description:
4-Bromo-2,6-dimethylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a bromine atom and a cyano group (–C≡N). The presence of two methyl groups at the 2 and 6 positions of the benzene ring contributes to its overall hydrophobic character and influences its reactivity. This compound typically appears as a solid at room temperature and is known for its moderate solubility in organic solvents. Its molecular structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The bromine substituent can serve as a site for further chemical modifications, making it a valuable intermediate in various synthetic pathways. Additionally, the cyano group can participate in nucleophilic reactions, enhancing its utility in chemical transformations. Safety data indicates that, like many brominated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper safety protocols should be followed when working with this substance in laboratory settings.
Formula:C9H8BrN
InChI:InChI=1/C9H8BrN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3
SMILES:Cc1cc(cc(C)c1C#N)Br
Synonyms:
  • Benzonitrile, 4-Bromo-2,6-Dimethyl-
  • 4-Bromo-2,6-Dimethylbenzenecarbonitrile
  • 4-Bromo-2,6-dimethylbenzonitrile
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