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CAS 448961-58-8

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4-Hydroxy-2,3-dimethylbenzonitrile

Description:
4-Hydroxy-2,3-dimethylbenzonitrile, with the CAS number 448961-58-8, is an organic compound characterized by its aromatic structure, which includes a hydroxyl group (-OH) and a nitrile group (-C≡N) attached to a benzene ring. The presence of the hydroxyl group contributes to its potential as a phenolic compound, which can exhibit various chemical reactivities, including hydrogen bonding and participation in electrophilic aromatic substitution reactions. The dimethyl substituents at the 2 and 3 positions of the benzene ring influence the compound's steric and electronic properties, potentially affecting its solubility and reactivity. This compound may be of interest in various fields, including pharmaceuticals and materials science, due to its functional groups that can participate in further chemical transformations. Additionally, its structural features may confer specific biological activities, making it a candidate for research in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed, as the toxicity and environmental impact of the compound should be assessed before use.
Formula:C9H9NO
InChI:InChI=1S/C9H9NO/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4,11H,1-2H3
InChI key:InChIKey=LUOBVTFFWKJVTN-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)C(C)=C(O)C=C1
Synonyms:
  • 4-Hydroxy-2,3-dimethylbenzonitrile
  • Benzonitrile, 4-hydroxy-2,3-dimethyl-
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