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CS-W001157 4
Total: USD 88.00

3-Fluoro-2-methylbenzoic acid

  • CAS No. 699-90-1

  • Cat. No. CS-W009095
  • Purity≥98%
  • MDL No.MFCD00075246

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

3-Fluoro-2-methylbenzoic acid|CS-W009095

Structure of 699-90-1

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General Information

  • CAS No. 699-90-1
  • Cat. No. CS-W009095
  • Purity ≥98%
  • MDL No. MFCD00075246
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) 3-Fluoro-2-Methyl-Benzoic Acid
  • SMILES FC1=C(C)C(C(O)=O)=CC=C1

Description

3-Fluoro-2-methylbenzoic acid features a fluorine atom at the meta position and a methyl group at the ortho position relative to the carboxylic acid, creating a sterically and electronically distinct aromatic scaffold. This combination enhances metabolic stability and modulates lipophilicity, making it valuable for medicinal chemistry applications requiring precise tuning of molecular properties.

Application

3-Fluoro-2-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluoro and methyl substituents provide directed functionalization potential and enhanced metabolic stability. The carboxylic acid group facilitates straightforward derivatization via amide, ester, or acyl chloride formation, supporting broad synthetic utility in API development workflows.

Synthesis

  • Route1
    • In-stock
      3-Fluorobenzoic acid|CS-W016469
      455-38-9
    • null|null
      74-88-4
    • ~72%
    • In-stock
      3-Fluoro-2-methylbenzoic acid|CS-W009095
      699-90-1

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 10 p. 1265 - 1272
  • Route2
    • null|null
      443-82-3
    • ~%
    • In-stock
      3-Fluoro-2-methylbenzoic acid|CS-W009095
      699-90-1

    References

    • Journal of Organic Chemistry, , vol. 26, p. 3208 - 3211
  • Route3
    • null|null
      87-59-2
    • ~%
    • In-stock
      3-Fluoro-2-methylbenzoic acid|CS-W009095
      699-90-1

    References

    • Journal of Organic Chemistry, , vol. 26, p. 3208 - 3211

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

Quality Control

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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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