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CAS 116529-62-5

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4-Iodo-2-nitrobenzoic acid

Description:
4-Iodo-2-nitrobenzoic acid is an organic compound characterized by the presence of both an iodine atom and a nitro group attached to a benzoic acid structure. It features a carboxylic acid functional group (-COOH), which contributes to its acidic properties. The iodine substituent at the para position and the nitro group at the ortho position relative to the carboxylic acid influence the compound's reactivity and solubility. This compound is typically a yellow crystalline solid and is sparingly soluble in water but more soluble in organic solvents. It is often used in organic synthesis and as an intermediate in the preparation of various pharmaceuticals and agrochemicals. The presence of both electron-withdrawing groups (iodine and nitro) enhances its acidity compared to benzoic acid, making it a useful reagent in various chemical reactions. Safety precautions should be taken when handling this compound, as it may pose health risks due to its chemical nature.
Formula:C7H4INO4
InChI:InChI=1S/C7H4INO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChI key:InChIKey=IZBFYNYRKIUGSG-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(N(=O)=O)C=C(I)C=C1
Synonyms:
  • Benzoic acid, 4-iodo-2-nitro-
  • 4-Iodo-2-nitrobenzoic acid
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