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CAS 648412-60-6

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2-Thiophenecarboxylic acid, 4-bromo-5-cyano-, methyl ester

Description:
2-Thiophenecarboxylic acid, 4-bromo-5-cyano-, methyl ester, identified by its CAS number 648412-60-6, is an organic compound characterized by its thiophene ring structure, which is a five-membered aromatic heterocycle containing sulfur. This compound features a carboxylic acid functional group that is esterified with a methyl group, enhancing its solubility in organic solvents. The presence of a bromine atom at the 4-position and a cyano group at the 5-position of the thiophene ring contributes to its reactivity and potential applications in various chemical syntheses. The cyano group introduces a strong electron-withdrawing characteristic, which can influence the compound's reactivity in nucleophilic substitution reactions. Additionally, the compound may exhibit interesting biological activities due to the presence of the thiophene moiety, which is often associated with pharmacological properties. Overall, this compound's unique structural features make it a subject of interest in organic synthesis and medicinal chemistry.
Formula:C7H4BrNO2S
InChI:InChI=1S/C7H4BrNO2S/c1-11-7(10)5-2-4(8)6(3-9)12-5/h2H,1H3
InChI key:InChIKey=CLUNERGOTORYPP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1SC(C#N)=C(Br)C1
Synonyms:
  • Methyl 4-bromo-5-cyanothiophene-2-carboxylate
  • 2-Thiophenecarboxylic acid, 4-bromo-5-cyano-, methyl ester
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