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CS-W001157 4
Total: USD 88.00

3-Chloro-1H-pyrazole-4-carboxylic acid

  • CAS No. 134589-59-6

  • Cat. No. CS-0134556
  • Molecule weight146.53
  • Purity≥97%
  • MDL No.MFCD18207308

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

3-Chloro-1H-pyrazole-4-carboxylic acid|CS-0134556

Structure of 134589-59-6

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General Information

  • CAS No. 134589-59-6
  • Cat. No. CS-0134556
  • Purity ≥97%
  • MDL No. MFCD18207308
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃ClN₂O₂
  • Molecular Weight 146.53
  • Synonym(s) None
  • SMILES O=C(O)C1=CNN=C1Cl

Description

3-Chloro-1H-pyrazole-4-carboxylic acid features a pyrazole core bearing a chlorine substituent at the 3-position and a carboxylic acid group at the 4-position, enabling direct integration into bioactive scaffolds. This electron-deficient heterocycle offers enhanced reactivity in coupling reactions and serves as a key building block for pharmaceutical intermediates.

Application

3-Chloro-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive heterocycles via amidation, esterification, or coupling reactions. Its chlorine substituent enhances electrophilicity for further functionalization, while the carboxylic acid group facilitates conjugation and salt formation. The compound exhibits good bench stability and compatibility with standard purification techniques, making it suitable for scalable synthesis of pyrazole-based scaffolds in API development.

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   65.98
  • LogP   0.7613
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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