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CAS 6313-17-3

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3-Iodo-5-nitrobenzoic acid

Description:
3-Iodo-5-nitrobenzoic acid is an aromatic carboxylic acid characterized by the presence of both an iodine and a nitro group on the benzene ring. The molecular structure features a benzoic acid core, with the iodine atom located at the meta position (3-position) and the nitro group at the para position (5-position) relative to the carboxylic acid group. This compound is typically a yellow crystalline solid, exhibiting moderate solubility in organic solvents and limited solubility in water due to its hydrophobic aromatic structure. It is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the nitro group can enhance the reactivity of the compound, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, the iodine atom can serve as a useful handle for further functionalization. As with many halogenated compounds, safety precautions should be taken when handling 3-iodo-5-nitrobenzoic acid due to potential toxicity and environmental concerns.
Formula:C7H4INO4
InChI:InChI=1S/C7H4INO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChI key:InChIKey=GFGURBBHVJTXDU-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(N(=O)=O)=CC(I)=C1
Synonyms:
  • Benzoic Acid, 3-Iodo-5-Nitro-
  • NSC 40643
  • 3-Iodo-5-nitrobenzoic acid
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