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CS-W001157 4
Total: USD 88.00

2,3,6-Trifluorobenzoic acid

  • CAS No. 2358-29-4

  • Cat. No. CS-W008212
  • Purity≥98%
  • MDL No.MFCD00002409

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

2,3,6-Trifluorobenzoic acid|CS-W008212

Structure of 2358-29-4

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General Information

  • CAS No. 2358-29-4
  • Cat. No. CS-W008212
  • Purity ≥98%
  • MDL No. MFCD00002409
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃O₂
  • Molecular Weight 176.09
  • Synonym(s) 2,3,6-trifluorobenzoate
  • SMILES O=C(O)C1=C(F)C=CC(F)=C1F

Description

2,3,6-Trifluorobenzoic acid features a trifluorinated aromatic ring that imparts enhanced electron-withdrawing character and improved metabolic stability. This enables efficient coupling reactions in medicinal chemistry and materials synthesis. The carboxylic acid functionality offers direct handle for derivatization under standard conditions.

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      367-23-7
    • ~88%
    • In-stock
      2,3,6-Trifluorobenzoic acid|CS-W008212
      2358-29-4

    References

    • Boogaerts, Ine I. F.; Nolan, Steven P. Journal of the American Chemical Society, 2010 , vol. 132, # 26 p. 8858 - 8859
  • Route2

    References

    • US5478963 A1, ;
  • Route3
    • null|null
      2367-82-0
    • ~%
    • In-stock
      2,3,6-Trifluorobenzoic acid|CS-W008212
      2358-29-4

    References

    • Journal of Physical Chemistry A, , vol. 104, # 2 p. 352 - 361

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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8021
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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