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CAS 88089-94-5

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Benzoic acid, 4-(bromomethyl)-3-nitro-, methyl ester

Description:
Benzoic acid, 4-(bromomethyl)-3-nitro-, methyl ester, identified by the CAS number 88089-94-5, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with a methyl ester group, which enhances its solubility in organic solvents. The presence of a bromomethyl group and a nitro group at specific positions on the aromatic ring contributes to its reactivity and potential applications in organic synthesis. This compound typically exhibits moderate polarity due to the ester and nitro groups, influencing its interactions in various chemical environments. It may participate in electrophilic aromatic substitution reactions due to the electron-withdrawing nature of the nitro group, while the bromomethyl group can serve as a site for further functionalization. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity. Overall, this compound is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or agrochemicals.
Formula:C9H8BrNO4
InChI:InChI=1S/C9H8BrNO4/c1-15-9(12)6-2-3-7(5-10)8(4-6)11(13)14/h2-4H,5H2,1H3
InChI key:HYGYRBBZOHUETE-UHFFFAOYSA-N
SMILES:COC(=O)C1=CC(=C(C=C1)CBr)[N+](=O)[O-]
Synonyms:
  • Benzoic acid, 4-(bromomethyl)-3-nitro-, methyl ester
  • Methyl 4-(bromomethyl)-3-nitrobenzoate
  • methyl 3-nitro-4-bromomethylbenzoate
  • 4-(bromomethyl)-3-nitrobenzoic acid methyl ester
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