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CAS 13771-68-1

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Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester

Description:
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester is an organic compound characterized by its structure, which includes a benzo[b]thiophene ring system substituted with a carboxylic acid and an ethyl ester group. The presence of the bromine atom at the 5-position of the thiophene ring introduces notable electrophilic properties, which can influence its reactivity and interactions in various chemical environments. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents due to its hydrophobic aromatic structure. It is often utilized in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals and agrochemicals. The compound may also display biological activity, making it of interest in research related to drug discovery. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C11H9BrO2S
InChI:InChI=1S/C11H9BrO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
InChI key:InChIKey=QYNBPINLQQVHBJ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=2C(S1)=CC=C(Br)C2
Synonyms:
  • Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester
  • Ethyl 5-bromobenzo[b]thiophene-2-carboxylate
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