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CS-W001157 4
Total: USD 88.00

3,5-Difluoro-4-methylbenzoic acid

  • CAS No. 103877-76-5

  • Cat. No. CS-0194072
  • Purity≥97%
  • MDL No.None

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

3,5-Difluoro-4-methylbenzoic acid|CS-0194072

Structure of 103877-76-5

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General Information

  • CAS No. 103877-76-5
  • Cat. No. CS-0194072
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) None
  • SMILES CC1=C(C=C(C=C1F)C(=O)O)F

Description

This difluorinated benzoic acid features a methyl group at the 4-position and fluorine atoms at the 3- and 5-positions, creating a highly electron-deficient aromatic core. The combination enhances metabolic stability and improves membrane permeability, making it valuable in medicinal chemistry for constructing bioactive scaffolds.

Application

3,5-Difluoro-4-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and drug candidates. Its ortho-fluorinated aryl core enhances metabolic stability and modulates electronic properties, while the carboxylic acid group facilitates direct coupling reactions or derivatization. The methyl substituent provides a site for further functionalization. This compound exhibits excellent bench stability and compatibility with standard synthetic protocols, making it ideal for scalable synthesis and structure–activity studies.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.97142
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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