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CS-W001157 4
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6-Fluoro-1h-1,3-benzodiazole-4-carboxylic acid

  • CAS No. 1193387-31-3

  • Cat. No. CS-0216531
  • Purity≥95%
  • MDL No.None

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

6-Fluoro-1h-1,3-benzodiazole-4-carboxylic acid|CS-0216531

Structure of 1193387-31-3

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General Information

  • CAS No. 1193387-31-3
  • Cat. No. CS-0216531
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FN₂O₂
  • Molecular Weight 180.14
  • Synonym(s) 6-Fluoro-1H-benzoimidazole-4-carboxylic acid
  • SMILES O=C(C1=C2N=CNC2=CC(F)=C1)O

Description

6-Fluoro-1H-1,3-benzodiazole-4-carboxylic acid features a fluorinated benzodiazole core with a carboxylic acid group at the 4-position, enabling direct incorporation into bioactive molecules. The electron-withdrawing fluorine substituent enhances metabolic stability and modulates electronic properties. This scaffold delivers improved membrane permeability and target engagement in medicinal chemistry applications.

Application

6-Fluoro-1H-1,3-benzodiazole-4-carboxylic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its well-defined electronic profile and compatibility with standard coupling reactions enable efficient derivatization at the carboxylic acid moiety. The molecule exhibits bench stability and facilitates access to diverse scaffolds through amide formation, esterification, and Suzuki-type cross-coupling protocols, making it a practical choice for medicinal chemistry campaigns and process development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.4002
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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