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CS-W001157 4
Total: USD 88.00

4-Fluoro-3,5-dimethylbenzoic acid

  • CAS No. 120512-59-6

  • Cat. No. CS-0193276
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-3,5-dimethylbenzoic acid|CS-0193276

Structure of 120512-59-6

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General Information

  • CAS No. 120512-59-6
  • Cat. No. CS-0193276
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight 168.16
  • Synonym(s) None
  • SMILES CC1=C(C(=CC(=C1)C(=O)O)C)F

Description

4-Fluoro-3,5-dimethylbenzoic acid features a fluorinated aromatic core with two methyl groups positioned ortho to the carboxylic acid. This substitution pattern imparts enhanced lipophilicity and metabolic stability, making it valuable for medicinal chemistry applications. The electron-withdrawing fluorine atom fine-tunes acidity and influences binding interactions in target-directed synthesis.

Application

4-Fluoro-3,5-dimethylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds with enhanced metabolic stability. Its ortho-fluorine and methyl groups provide favorable electronic and steric properties for downstream functionalization. The carboxylic acid group facilitates direct coupling reactions and derivatization under standard conditions, offering excellent bench stability and ease of purification in synthetic workflows.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.14074
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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