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CAS 39653-87-7

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Phenol, 4-methoxy-3-nitro-, 1-acetate

Description:
Phenol, 4-methoxy-3-nitro-, 1-acetate, also known by its CAS number 39653-87-7, is an organic compound that features a phenolic structure with specific substituents. This compound is characterized by the presence of a methoxy group (-OCH3) and a nitro group (-NO2) at the para and meta positions, respectively, relative to the hydroxyl group (-OH) on the aromatic ring. The acetate group (-OCOCH3) indicates that the hydroxyl hydrogen has been replaced by an acetyl group, enhancing its lipophilicity and potentially altering its reactivity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its nitro and methoxy substituents can influence its electronic properties, making it a subject of interest in various chemical reactions and applications, including synthesis in pharmaceuticals and agrochemicals. Additionally, the presence of both electron-withdrawing and electron-donating groups can affect its acidity, reactivity, and overall chemical behavior. Safety and handling precautions should be observed, as with many nitro compounds, due to potential toxicity and environmental concerns.
Formula:C9H9NO5
InChI:InChI=1S/C9H9NO5/c1-6(11)15-7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3
InChI key:InChIKey=XUZGGGXQVSZPDD-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(OC)C=CC(OC(C)=O)=C1
Synonyms:
  • Phenol, 4-methoxy-3-nitro-, 1-acetate
  • Phenol, 4-methoxy-3-nitro-, acetate (ester)
  • 4-Methoxy-3-nitrophenyl acetate
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