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CS-W001157 4
Total: USD 88.00

5-Bromo-2-(trifluoromethoxy)benzoic acid

  • CAS No. 403646-47-9

  • Cat. No. CS-0084299
  • Purity≥97%
  • MDL No.MFCD06203214

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

5-Bromo-2-(trifluoromethoxy)benzoic acid|CS-0084299

Structure of 403646-47-9

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General Information

  • CAS No. 403646-47-9
  • Cat. No. CS-0084299
  • Purity ≥97%
  • MDL No. MFCD06203214
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrF₃O₃
  • Molecular Weight 285.01
  • Synonym(s) 3-Bromo-6-(trifluoromethoxy)benzoic acid
  • SMILES O=C(O)C1=CC(Br)=CC=C1OC(F)(F)F

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-4-(trifluoromethoxy)benzene|CS-W010286
      407-14-7
    • ~86%
    • In-stock
      5-Bromo-2-(trifluoromethoxy)benzoic acid|CS-0084299
      403646-47-9

    References

    • Schlosser, Manfred; Castagnetti European Journal of Organic Chemistry, 2001 , # 21 p. 3991 - 3997
  • Route2
    • null|null
      124-38-9
    • ~37%
    • In-stock
      5-Bromo-2-(trifluoromethoxy)benzoic acid|CS-0084299
      403646-47-9

    References

    • Millennium Pharmaceuticals, Inc. Patent: US2004/82779 A1, 2004 ; Location in patent: Page 91 ; US 20040082779 A1
  • Route3
    • Ethyl 5-bromo-2-(trifluoromethoxy)benzoate|CS-0084309
      773135-66-3
    • ~%
    • In-stock
      5-Bromo-2-(trifluoromethoxy)benzoic acid|CS-0084299
      403646-47-9

    References

    • Gilead Palo Alto, Inc. Patent: US2011/21521 A1, 2011 ; Location in patent: Page/Page column 56; 57 ;

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   46.53
  • LogP   3.0459
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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