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CS-W001157 4
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4-Fluorobenzo[d]thiazole-2-carboxylic acid

  • CAS No. 479028-70-1

  • Cat. No. CS-0042879
  • Purity≥97%
  • MDL No.MFCD11217267

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

4-Fluorobenzo[d]thiazole-2-carboxylic acid|CS-0042879

Structure of 479028-70-1

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General Information

  • CAS No. 479028-70-1
  • Cat. No. CS-0042879
  • Purity ≥97%
  • MDL No. MFCD11217267
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₂S
  • Molecular Weight 197.19
  • Synonym(s) 4-Fluorobenzothiazole-2-carboxylic acid
  • SMILES OC(=O)C1=NC2=C(S1)C=CC=C2F

Description

4-Fluorobenzo[d]thiazole-2-carboxylic acid features a fluorinated heterocyclic core paired with a carboxylic acid group, enabling direct integration into bioactive molecule scaffolds. The electron-deficient thiazole ring enhances reactivity in coupling processes, while the para-fluorine supports metabolic stability and targeted binding in medicinal chemistry applications.

Application

4-Fluorobenzo[d]thiazole-2-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling direct incorporation into pharmaceutical scaffolds via standard coupling reactions. Its carboxylic acid functionality facilitates amide bond formation and derivatization under mild conditions, while the fluorinated aromatic ring enhances metabolic stability and modulates electronic properties. The molecule exhibits excellent bench stability and compatibility with common purification techniques, making it well-suited for iterative medicinal chemistry campaigns and process-scale applications.

Safety Information

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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   2.1336
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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