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CS-W001157 4
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3,5-Difluorobenzoic acid methyl ester

  • CAS No. 216393-55-4

  • Cat. No. CS-0128916
  • Purity≥98%
  • MDL No.None

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

3,5-Difluorobenzoic acid methyl ester|CS-0128916

Structure of 216393-55-4

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General Information

  • CAS No. 216393-55-4
  • Cat. No. CS-0128916
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) Methyl 3,5-difluorobenzoate
  • SMILES O=C(OC)C1=CC(F)=CC(F)=C1

Description

3,5-Difluorobenzoic acid methyl ester features a fluorinated aromatic core with electron-withdrawing substituents that enhance reactivity in cross-coupling and functionalization processes. The methyl ester group provides stable, bench-ready handling while enabling straightforward hydrolysis or derivatization under standard conditions. This compound serves as a key building block for pharmaceutical intermediates and agrochemical scaffolds.

Application

3,5-Difluorobenzoic acid methyl ester serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. Its ortho-fluorinated aromatic core enables enhanced metabolic stability and modulates electronic properties in target molecules. The methyl ester group facilitates straightforward derivatization via hydrolysis or nucleophilic acyl substitution, while the difluoro substitution pattern supports predictable reactivity in coupling reactions and heterocycle formation. Bench-stable and easily purified, it functions effectively in standard synthetic workflows for API and agrochemical development.

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-H319
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   26.3
  • LogP   1.7514
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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