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CAS 850864-49-2

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Benzoic acid, 3-iodo-5-nitro-, ethyl ester

Description:
Benzoic acid, 3-iodo-5-nitro-, ethyl ester, with the CAS number 850864-49-2, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzoic acid backbone substituted with both an iodine atom at the 3-position and a nitro group at the 5-position of the aromatic ring, contributing to its unique chemical properties. The ethyl ester group enhances its solubility in organic solvents and may influence its reactivity in various chemical reactions. Typically, compounds of this nature exhibit moderate to high stability under standard conditions, but they may be sensitive to strong acids or bases. The presence of the nitro group can impart electrophilic characteristics, making the compound potentially useful in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the iodine substituent may facilitate further functionalization or serve as a leaving group in nucleophilic substitution reactions. Overall, this compound's structure suggests a range of applications in chemical synthesis and research.
Formula:C9H8INO4
InChI:InChI=1S/C9H8INO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
InChI key:InChIKey=FWLQRGJGXWXGPW-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(N(=O)=O)=CC(I)=C1
Synonyms:
  • Benzoic acid, 3-iodo-5-nitro-, ethyl ester
  • Ethyl 3-iodo-5-nitrobenzoate
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