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CS-W001157 4
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2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

  • CAS No. 3855-95-6

  • Cat. No. CS-W018474
  • Purity≥95%
  • MDL No.MFCD08689736

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

2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID|CS-W018474

Structure of 3855-95-6

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General Information

  • CAS No. 3855-95-6
  • Cat. No. CS-W018474
  • Purity ≥95%
  • MDL No. MFCD08689736
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClNO₂S
  • Molecular Weight 213.64
  • Synonym(s) 2-Chloro-1,3-benzothiazole-6-carboxylic acid
  • SMILES O=C(C1=CC=C2N=C(Cl)SC2=C1)O

Description

2-Chloro-6-benzothiazolecarboxylic acid features a benzothiazole core with strategic chlorine and carboxylic acid substituents, enabling direct integration into heterocyclic scaffolds. This moiety delivers enhanced electron-withdrawing character and facilitates coupling reactions under standard conditions. The compound exhibits bench-stable handling and compatibility with diverse synthetic workflows in medicinal chemistry and materials development.

Application

2-Chloro-6-benzothiazolecarboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to benzothiazole-based scaffolds prevalent in medicinal chemistry. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization, while the ortho-chloro substituent provides a handle for palladium-catalyzed cross-coupling or nucleophilic substitution. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in API development and probe design.

Synthesis

  • Route1
    • null|null
      75-15-0
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • In-stock
      2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID|CS-W018474
      3855-95-6

    References

    • Bouanane,A. et al. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1976 , vol. 283, p. 319 - 321

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

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.6479
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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