Cas no 53685-98-6 (4-Bromo-3-formylthiophene-2-carboxylic acid)

4-Bromo-3-formylthiophene-2-carboxylic acid is a versatile heterocyclic building block used in organic synthesis and pharmaceutical research. Its structure features both a bromo substituent and a formyl group on a thiophene ring, enabling selective functionalization via cross-coupling, nucleophilic substitution, or condensation reactions. The carboxylic acid moiety further enhances reactivity, allowing for derivatization into esters, amides, or other derivatives. This compound is particularly valuable in the development of thiophene-based materials, agrochemicals, and bioactive molecules due to its well-defined reactivity profile. Its high purity and stability make it suitable for precise synthetic applications, including medicinal chemistry and materials science.
4-Bromo-3-formylthiophene-2-carboxylic acid structure
53685-98-6 structure
Product Name:4-Bromo-3-formylthiophene-2-carboxylic acid
CAS No:53685-98-6
MF:C6H3BrO3S
MW:235.055219888687
CID:2950625
PubChem ID:83670191
Update Time:2025-10-31

4-Bromo-3-formylthiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-溴-3-甲酰噻吩-2-羧酸
    • 4-Bromo-3-formylthiophene-2-carboxylic acid
    • 4-Bromo-3-formylthiophene-2-carboxylicacid
    • 4-bromo-3-formyl-2-thiophenecarboxylic acid
    • 53685-98-6
    • Inchi： 1S/C6H3BrO3S/c7-4-2-11-5(6(9)10)3(4)1-8/h1-2H,(H,9,10)
    • InChI Key： WRPLEHNXJMACSQ-UHFFFAOYSA-N
    • SMILES： BrC1=CSC(C(=O)O)=C1C=O

Computed Properties

  • Exact Mass: 233.89863g/mol
  • Monoisotopic Mass: 233.89863g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 82.6

4-Bromo-3-formylthiophene-2-carboxylic acid Pricemore >>

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