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CAS 861905-21-7

:

Benzoic acid, 3-fluoro-5-iodo-4-methyl-, methyl ester

Description:
Benzoic acid, 3-fluoro-5-iodo-4-methyl-, methyl ester, with the CAS number 861905-21-7, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid core substituted with a fluorine atom at the 3-position, an iodine atom at the 5-position, and a methyl group at the 4-position of the aromatic ring. The presence of these halogen substituents can influence the compound's reactivity, polarity, and overall chemical behavior. As an ester, it is likely to exhibit typical ester properties, such as being less polar than the corresponding acid and having a lower boiling point. The methyl ester group enhances its solubility in organic solvents, making it useful in various chemical applications, including synthesis and as an intermediate in organic reactions. Additionally, the unique combination of substituents may impart specific biological activities or properties, making it of interest in medicinal chemistry and material science.
Formula:C9H8FIO2
InChI:InChI=1S/C9H8FIO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3
InChI key:InChIKey=ADMOODHDOJVFMC-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(F)=C(C)C(I)=C1
Synonyms:
  • Methyl 3-fluoro-5-iodo-4-methylbenzoate
  • Benzoic acid, 3-fluoro-5-iodo-4-methyl-, methyl ester
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