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CS-W001157 4
Total: USD 88.00

6-Chloro-1-benzofuran-2-carboxylic acid

  • CAS No. 442125-04-4

  • Cat. No. CS-0036482
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

6-Chloro-1-benzofuran-2-carboxylic acid|CS-0036482

Structure of 442125-04-4

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General Information

  • CAS No. 442125-04-4
  • Cat. No. CS-0036482
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClO₃
  • Molecular Weight 196.59
  • Synonym(s) 6-Chlorobenzofuran-2-carboxylic acid
  • SMILES C1=CC(=CC2=C1C=C(C(=O)O)O2)Cl

Description

6-Chloro-1-benzofuran-2-carboxylic acid features a chlorinated benzofuran scaffold with a carboxylic acid group at the 2-position, offering enhanced electron-withdrawing character and improved solubility in polar solvents. This structural motif facilitates direct incorporation into pharmaceutical intermediates and functional materials via amidation or esterification reactions under standard conditions.

Synthesis

  • Route1
    • Tert-butyl 6-chlorobenzofuran-2-carboxylate|CS-0936447
      1210226-81-5
    • ~98%
    • In-stock
      6-Chloro-1-benzofuran-2-carboxylic acid|CS-0036482
      442125-04-4

    References

    • Gensini, Martina; Altamura, Maria; Dimoulas, Tula; Fedi, Valentina; Giannotti, Danilo; Giuliani, Sandro; Guidi, Antonio; Harmat, Nicholas J. S.; Meini, Stefania; Nannicini, Rossano; Pasqui, Franco; Tramontana, Manuela; Triolo, Antonio; Maggi, Carlo Alberto ChemMedChem, 2010 , vol. 5, # 1 p. 65 - 78
  • Route2
    • Ethyl 6-chlorobenzofuran-2-carboxylate|CS-0469690
      74222-19-8
    • ~%
    • In-stock
      6-Chloro-1-benzofuran-2-carboxylic acid|CS-0036482
      442125-04-4

    References

    • Yoshikawa, Kenji; Yokomizo, Aki; Naito, Hiroyuki; Haginoya, Noriyasu; Kobayashi, Shozo; Yoshino, Toshiharu; Nagata, Tsutomu; Mochizuki, Akiyoshi; Osanai, Ken; Watanabe, Kengo; Kanno, Hideyuki; Ohta, Toshiharu Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 24 p. 8206 - 8220
  • Route3

    References

    • Andrisano; Duro Gazzetta Chimica Italiana, 1955 , vol. 85, p. 381,388

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   2.7844
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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