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CAS 256935-85-0

:

Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester

Description:
Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester, identified by CAS number 256935-85-0, is an organic compound characterized by its benzoic acid structure modified with an amino group, chlorine, and iodine substituents. This compound typically appears as a white to off-white solid and is soluble in organic solvents, reflecting its ester functional group. The presence of the amino group suggests potential for hydrogen bonding, while the halogen substituents (chlorine and iodine) can influence its reactivity and polarity. The methyl ester form indicates that the carboxylic acid group is esterified, which can enhance its lipophilicity compared to the parent acid. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its synthesis and applications could involve various organic reactions, including nucleophilic substitutions and esterification processes. As with many halogenated compounds, considerations regarding environmental impact and toxicity are essential in its handling and application.
Formula:C8H7ClINO2
InChI:InChI=1S/C8H7ClINO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
InChI key:InChIKey=ACKIVQFMUDRNPN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(Cl)C=C(N)C(I)=C1
Synonyms:
  • Methyl 4-amino-2-chloro-5-iodobenzoate
  • Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester
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