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CS-W001157 4
Total: USD 88.00

2-Fluoro-3-methylbenzoic acid

  • CAS No. 315-31-1

  • Cat. No. CS-W018051
  • Purity≥97%
  • MDL No.MFCD00042504

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

2-Fluoro-3-methylbenzoic acid|CS-W018051

Structure of 315-31-1

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General Information

  • CAS No. 315-31-1
  • Cat. No. CS-W018051
  • Purity ≥97%
  • MDL No. MFCD00042504
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) 2-Fluoro-m-toluic Acid
  • SMILES O=C(O)C1=CC=CC(C)=C1F

Description

2-Fluoro-3-methylbenzoic acid features a strategically positioned fluorine atom and methyl group on the aromatic ring, enhancing electronic effects and metabolic stability. This ortho-substituted benzoic acid derivative serves as a key building block in medicinal chemistry, particularly for designing bioactive molecules requiring precise steric and electronic tuning.

Application

2-Fluoro-3-methylbenzoic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluoro and meta-methyl substituents provide enhanced metabolic stability and modulate electronic properties, facilitating coupling reactions with amines, alcohols, and nucleophiles under standard conditions. The carboxylic acid group offers direct functionality for amide formation, esterification, or salt formation, while the molecule exhibits good bench stability and ease of purification.

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 : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-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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