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CS-W001157 4
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4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid

  • CAS No. 122453-98-9

  • Cat. No. CS-0338533
  • Molecule weight221.64
  • Purity≥97%
  • MDL No.None

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

4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid|CS-0338533

Structure of 122453-98-9

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General Information

  • CAS No. 122453-98-9
  • Cat. No. CS-0338533
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClNO₂
  • Molecular Weight 221.64
  • Synonym(s) 4-(4-CHLORO-PHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID
  • SMILES C1=C(C=CC(=C1)Cl)C2=CNC=C2C(=O)O

Description

This pyrrole derivative features a 4-chlorophenyl substituent at the 4-position, enhancing electron-withdrawing character and facilitating downstream functionalization. The carboxylic acid group enables direct coupling reactions and serves as a key handle for conjugation in bioconjugate and pharmaceutical applications.

Application

4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid serves as a versatile building block for bioactive heterocycles, enabling direct incorporation into pharmaceutical scaffolds via standard amide coupling and decarboxylation protocols. The ortho-carboxylic acid functionality facilitates conjugation with amines, while the 4-chlorophenyl group provides enhanced metabolic stability and π–π stacking potential in target binding. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses of kinase inhibitors and CNS-active compounds.

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   53.09
  • LogP   3.0333
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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