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CS-W001157 4
Total: USD 88.00

3,4-Difluorophenylacetic acid

  • CAS No. 658-93-5

  • Cat. No. CS-W008407
  • Purity≥97%
  • MDL No.MFCD00010002

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

3,4-Difluorophenylacetic acid|CS-W008407

Structure of 658-93-5

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General Information

  • CAS No. 658-93-5
  • Cat. No. CS-W008407
  • Purity ≥97%
  • MDL No. MFCD00010002
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) (3,4-difluorophenyl)acetate
  • SMILES OC(=O)CC1=CC(F)=C(F)C=C1

Description

3,4-Difluorophenylacetic acid features a benzene ring bearing two fluorine atoms at the meta positions, enhancing electron deficiency and metabolic stability. This configuration supports efficient incorporation into bioactive scaffolds, particularly in medicinal chemistry where halogenation improves membrane permeability and target binding affinity. The carboxylic acid moiety enables direct conjugation or derivatization under standard coupling conditions.

Synthesis

  • Route1
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    • ~%
    • In-stock
      3,4-Difluorophenylacetic acid|CS-W008407
      658-93-5

    References

    • Journal of Organic Chemistry, , vol. 26, p. 2353 - 2355
  • Route2
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      698-80-6
    • ~%
    • In-stock
      3,4-Difluorophenylacetic acid|CS-W008407
      658-93-5

    References

    • Journal of Organic Chemistry, , vol. 26, p. 2353 - 2355
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 26, p. 2353 - 2355

Safety Information

Download SDS
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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.5919
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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