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CAS 32996-27-3

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5-Methyl-6-nitro-1,3-benzodioxole

Description:
5-Methyl-6-nitro-1,3-benzodioxole is an organic compound characterized by its unique structure, which includes a benzodioxole moiety with methyl and nitro substituents. This compound features a dioxole ring, which is a five-membered ring containing two oxygen atoms, contributing to its aromatic properties. The presence of the methyl group at the 5-position and the nitro group at the 6-position influences its chemical reactivity and physical properties, such as solubility and stability. Typically, compounds like this may exhibit interesting biological activities, making them of interest in medicinal chemistry and pharmacology. The nitro group can serve as a potential site for further chemical modifications, while the dioxole structure may enhance the compound's electron-withdrawing capabilities. Additionally, the compound's molecular weight, melting point, and solubility characteristics would be relevant for practical applications, including synthesis and formulation in various chemical contexts. Overall, 5-Methyl-6-nitro-1,3-benzodioxole represents a versatile structure with potential utility in research and industry.
Formula:C8H7NO4
InChI:InChI=1S/C8H7NO4/c1-5-2-7-8(13-4-12-7)3-6(5)9(10)11/h2-3H,4H2,1H3
InChI key:InChIKey=HSJXVJRZFPZLSP-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C=C2C(=CC1C)OCO2
Synonyms:
  • 1,3-Benzodioxole, 5-methyl-6-nitro-
  • 5-Methyl-6-nitro-1,3-benzodioxole
  • Toluene, 4,5-(methylenedioxy)-2-nitro-
  • 5-Methyl-6-nitrobenzodioxole
  • 5-Nitro-6-methyl-1,3-benzodioxole
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