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CAS 5400-81-7

:

Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester

Description:
Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester, with the CAS number 5400-81-7, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid backbone substituted with an amino group and two iodine atoms at the 3 and 5 positions of the aromatic ring. The presence of the ethyl ester group enhances its lipophilicity, which can influence its solubility and reactivity in various chemical environments. Typically, compounds like this may exhibit biological activity, potentially serving as intermediates in the synthesis of pharmaceuticals or agrochemicals. The iodine substituents can impart unique properties, such as increased molecular weight and potential for halogen bonding, which may affect the compound's interactions in biological systems. Additionally, the amino group can participate in hydrogen bonding, influencing the compound's overall reactivity and stability. As with many halogenated compounds, considerations regarding environmental impact and toxicity are essential in its handling and application.
Formula:C9H9I2NO2
InChI:InChI=1/C9H9I2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3
InChI key:InChIKey=IFLWBYIITJOICR-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(I)=C(N)C(I)=C1
Synonyms:
  • Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester
  • 4-Amino-3,5-diiodobenzoic acid ethyl ester
  • Ethyl 4-amino-3,5-diiodobenzoate
  • NSC 10390
  • Ethyl 4-amino-3,5-diiodobenzoate, tech
  • ETHYL-3,5-DIIODO-4-AMINOBENZOATE
  • 3,5-DIIODO-4-AMINOBENZOIC ACID ETHYL ESTER
  • ETHYL 4-AMINO-3,5-DIODOBENZOATE
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