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CAS 1082041-95-9

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3-Bromo-4-methyl-5-nitrobenzonitrile

Description:
3-Bromo-4-methyl-5-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a bromine atom, a methyl group, and a nitro group attached to a benzonitrile framework. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and polarity. The methyl group contributes to the compound's hydrophobic characteristics, while the nitro group is a strong electron-withdrawing group, enhancing the compound's electrophilic nature. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its nitrile functional group (-C≡N) indicates potential applications in coordination chemistry and as a precursor for further chemical transformations. The compound's physical properties, such as solubility and melting point, would depend on its molecular interactions and the presence of functional groups. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 3-Bromo-4-methyl-5-nitrobenzonitrile is a versatile compound with significant implications in synthetic organic chemistry.
Formula:C8H5BrN2O2
InChI:InChI=1S/C8H5BrN2O2/c1-5-7(9)2-6(4-10)3-8(5)11(12)13/h2-3H,1H3
InChI key:InChIKey=BCEZUDAZGZYEIW-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C)C(Br)=CC(C#N)=C1
Synonyms:
  • Benzonitrile, 3-bromo-4-methyl-5-nitro-
  • 3-Bromo-4-methyl-5-nitrobenzonitrile
  • 2-Bromo-4-cyano-6-nitrotoluene
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