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CS-W001157 4
Total: USD 88.00

4-Chloro-2-methoxybenzoic acid

  • CAS No. 57479-70-6

  • Cat. No. CS-W019517
  • Purity≥98%
  • MDL No.MFCD00002532

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

4-Chloro-2-methoxybenzoic acid|CS-W019517

Structure of 57479-70-6

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General Information

  • CAS No. 57479-70-6
  • Cat. No. CS-W019517
  • Purity ≥98%
  • MDL No. MFCD00002532
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₃
  • Molecular Weight 186.59
  • Synonym(s) 4-Chloro-o-anisic Acid; 4-Chloro-2-methoxybenzoic acid
  • SMILES O=C(O)C1=CC=C(Cl)C=C1OC

Description

4-Chloro-2-methoxybenzoic acid features a strategically positioned chloro group and methoxy substituent on the aromatic ring, enabling enhanced electronic modulation and solubility in organic media. This configuration supports efficient coupling reactions and facilitates integration into bioactive scaffolds, particularly in pharmaceutical intermediates requiring precise functional group placement.

Application

4-Chloro-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, heterocycles, and bioactive scaffolds. Its ortho-methoxy and para-chloro substituents provide orthogonal reactivity for late-stage functionalization, while the carboxylic acid group facilitates amide coupling, esterification, and metal-catalyzed cross-coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, supporting scalable synthesis 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.0468
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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