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CS-W001157 4
Total: USD 88.00

4-Bromo-2-(trifluoromethyl)benzoic acid

  • CAS No. 320-31-0

  • Cat. No. CS-W008305
  • Purity≥98%
  • MDL No.MFCD07787468

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

4-Bromo-2-(trifluoromethyl)benzoic acid|CS-W008305

Structure of 320-31-0

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General Information

  • CAS No. 320-31-0
  • Cat. No. CS-W008305
  • Purity ≥98%
  • MDL No. MFCD07787468
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrF₃O₂
  • Molecular Weight 269.02
  • Synonym(s) 5-Bromo-2-carboxybenzotrifluoride
  • SMILES BrC1=CC(=C(C(=O)O)C=C1)C(F)(F)F

Description

4-Bromo-2-(trifluoromethyl)benzoic acid features a sterically hindered aromatic core with complementary electron-withdrawing groups. This combination enhances stability and directs electrophilic substitution regioselectively. The carboxylic acid moiety enables direct coupling reactions, while the bromine and trifluoromethyl groups serve as versatile handles for cross-coupling transformations.

Synthesis

  • Route1

    References

    • EP1445253 A1, ; Page 25 ; EP 1445253 A1
  • Route2

    References

    • WO2006/21759 A1, ; Page/Page column 41 ; WO 2006/021759 A1
  • Route3
    • null|null
      124-38-9
    • In-stock
      5-Bromo-2-iodobenzotrifluoride|CS-0040983
      364-12-5
    • ~67%
    • In-stock
      4-Bromo-2-(trifluoromethyl)benzoic acid|CS-W008305
      320-31-0

    References

    • Hattori, Yoshihide; Yamamoto, Hitoshi; Ando, Hideya; Kondoh, Hirofumi; Asano, Tomoyuki; Kirihata, Mitsunori; Yamaguchi, Yoshihiro; Wakamiya, Tateaki Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 5 p. 2198 - 2205

Safety Information

Download SDS
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.1661
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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