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CS-W001157 4
Total: USD 88.00

5-Bromo-2,3,4-trifluorobenzoic acid

  • CAS No. 212631-85-1

  • Cat. No. CS-0103702
  • Purity≥96%
  • MDL No.MFCD12756771

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

5-Bromo-2,3,4-trifluorobenzoic acid|CS-0103702

Structure of 212631-85-1

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General Information

  • CAS No. 212631-85-1
  • Cat. No. CS-0103702
  • Purity ≥96%
  • MDL No. MFCD12756771
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrF₃O₂
  • Molecular Weight None
  • Synonym(s) XQIATTAAVBLNAN-UHFFFAOYSA-N
  • SMILES O=C(O)C1=CC(Br)=C(F)C(F)=C1F

Description

5-Bromo-2,3,4-trifluorobenzoic acid features a trifluorinated aromatic core with strategic bromine and carboxylic acid placement, enabling direct functionalization in cross-coupling reactions. This electron-deficient scaffold integrates efficiently into bioactive molecule synthesis, offering enhanced metabolic stability and favorable solubility under standard conditions.

Application

5-Bromo-2,3,4-trifluorobenzoic acid serves as a versatile building block for the synthesis of fluorinated heterocycles and pharmaceutical intermediates. Its orthogonal reactivity enables efficient Suzuki-Miyaura and Buchwald-Hartwig couplings, while the carboxylic acid group facilitates direct derivatization or activation. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step synthetic sequences requiring high functional group tolerance.

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-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.5646
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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