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CS-W001157 4
Total: USD 88.00

5-Bromo-2-(trifluoromethyl)benzoic acid

  • CAS No. 654-97-7

  • Cat. No. CS-0050632
  • Purity≥97%
  • MDL No.MFCD12026306

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

5-Bromo-2-(trifluoromethyl)benzoic acid|CS-0050632

Structure of 654-97-7

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General Information

  • CAS No. 654-97-7
  • Cat. No. CS-0050632
  • Purity ≥97%
  • MDL No. MFCD12026306
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrF₃O₂
  • Molecular Weight 269.02
  • Synonym(s) 5-Bromo-2-Trifluoromethylbenzoic Acid
  • SMILES OC(=O)C1=C(C=CC(Br)=C1)C(F)(F)F

Synthesis

  • Route1

    References

    • SIGNAL PHARMACEUTICALS, LLC Patent: WO2009/89042 A1, 2009 ; Location in patent: Page/Page column 101 ; WO 2009/089042 A1
  • Route2
    • In-stock
      2,5-Dibromobenzoic acid|CS-W002104
      610-71-9
    • null|null
      77152-08-0
    • ~82%
    • In-stock
      5-Bromo-2-(trifluoromethyl)benzoic acid|CS-0050632
      654-97-7

    References

    • Lishchynskyi, Anton; Novikov, Maxim A.; Martin, Eddy; Escudero-Adan, Eduardo C.; Novak, Petr; Grushin, Vladimir V. Journal of Organic Chemistry, 2013 , vol. 78, # 22 p. 11126 - 11146

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-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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