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CS-W001157 4
Total: USD 88.00

3-Chloro-5-(difluoromethoxy)benzoic acid

  • CAS No. 433926-80-8

  • Cat. No. CS-0133160
  • Molecule weight222.57
  • Purity≥98%
  • MDL No.None

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

3-Chloro-5-(difluoromethoxy)benzoic acid|CS-0133160

Structure of 433926-80-8

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General Information

  • CAS No. 433926-80-8
  • Cat. No. CS-0133160
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₂O₃
  • Molecular Weight 222.57
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(OC(F)F)=CC(Cl)=C1

Description

This difluoromethoxy-substituted benzoic acid delivers a potent electron-withdrawing motif for medicinal chemistry applications. The ortho-chloro and para-difluoromethoxy groups combine to enhance metabolic stability and modulate lipophilicity, enabling efficient integration into bioactive scaffolds.

Application

3-Chloro-5-(difluoromethoxy)benzoic acid serves as a versatile building block for bioactive heterocycles and pharmaceutical intermediates. Its ortho-chloro and difluoromethoxy substituents provide enhanced metabolic stability and modulated lipophilicity, while the carboxylic acid functionality enables direct coupling reactions or derivatization. The compound exhibits excellent bench stability and facilitates efficient purification via crystallization, making it well-suited for scalable synthesis in medicinal chemistry campaigns.

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-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.6396
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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