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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-(methoxycarbonyl)benzoic acid

  • CAS No. 161796-11-8

  • Cat. No. CS-0132523
  • Molecule weight198.15
  • Purity≥96%
  • MDL No.MFCD20639684

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

3-Fluoro-4-(methoxycarbonyl)benzoic acid|CS-0132523

Structure of 161796-11-8

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General Information

  • CAS No. 161796-11-8
  • Cat. No. CS-0132523
  • Purity ≥96%
  • MDL No. MFCD20639684
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₄
  • Molecular Weight 198.15
  • Synonym(s) Methyl 4-carboxyl-2-fluorobenzoate
  • SMILES O=C(C1=CC=C(C(O)=O)C=C1F)OC

Description

3-Fluoro-4-(methoxycarbonyl)benzoic acid features a fluorinated aromatic ring paired with a methoxycarbonyl group, enabling direct integration into pharmaceutical scaffolds. This electron-deficient motif facilitates efficient coupling reactions and offers enhanced metabolic stability in bioactive molecule design.

Application

3-Fluoro-4-(methoxycarbonyl)benzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluorine and meta-methoxycarbonyl groups enable selective functionalization and coupling reactions, while the carboxylic acid functionality facilitates amidation, esterification, and salt formation. The compound exhibits good bench stability and is readily purified by recrystallization, making it suitable for scale-up 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-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   63.6
  • LogP   1.3105
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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