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CS-W001157 4
Total: USD 88.00

2-Fluoro-5-methylbenzoic acid

  • CAS No. 321-12-0

  • Cat. No. CS-W019919
  • Purity≥97%
  • MDL No.MFCD00092819

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

2-Fluoro-5-methylbenzoic acid|CS-W019919

Structure of 321-12-0

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General Information

  • CAS No. 321-12-0
  • Cat. No. CS-W019919
  • Purity ≥97%
  • MDL No. MFCD00092819
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) 6-Fluoro-m-toluic Acid
  • SMILES OC(C1=CC(C)=CC=C1F)=O

Description

2-Fluoro-5-methylbenzoic acid features a strategically positioned fluorine atom and methyl group on the aromatic ring, enhancing electron-withdrawing character and metabolic stability. This combination imparts improved lipophilicity and target engagement potential in medicinal chemistry applications. The carboxylic acid functionality enables straightforward derivatization for bioconjugation or salt formation.

Application

2-Fluoro-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluoro and meta-methyl substituents provide distinct electronic and steric profiles that enhance reactivity in coupling reactions and facilitate downstream functionalization. The carboxylic acid group enables direct derivatization to amides, esters, and acyl chlorides, while the molecule exhibits excellent bench stability and ease of purification—key attributes for scalable synthesis and process 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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.83232
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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