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CS-W001157 4
Total: USD 88.00

3,5-Bis(trifluoromethyl)benzoic acid

  • CAS No. 725-89-3

  • Cat. No. CS-W012544
  • Purity≥98%
  • MDL No.MFCD00000388

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

3,5-Bis(trifluoromethyl)benzoic acid|CS-W012544

Structure of 725-89-3

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General Information

  • CAS No. 725-89-3
  • Cat. No. CS-W012544
  • Purity ≥98%
  • MDL No. MFCD00000388
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄F₆O₂
  • Molecular Weight None
  • Synonym(s) TIMTEC-BB SBB000963
  • SMILES O=C(O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

Description

3,5-Bis(trifluoromethyl)benzoic acid is a significant metabolite formed during metabolism of 3,5-bis(trifluoromethyl)benzyl ether via oxidation.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-3,5-bis(trifluoromethyl)benzene|CS-D0806
      328-70-1
    • ~94%
    • In-stock
      3,5-Bis(trifluoromethyl)benzoic acid|CS-W012544
      725-89-3

    References

    • Leazer Jr., Johnnie L.; Cvetovich, Raymond; Tsay, Fuh-Rong; Dolling, Ulf; Vickery, Thomas; Bachert, Donald Journal of Organic Chemistry, 2003 , vol. 68, # 9 p. 3695 - 3698
  • Route2
    • null|null
      401-96-7
    • ~84%
    • In-stock
      3,5-Bis(trifluoromethyl)benzoic acid|CS-W012544
      725-89-3

    References

    • MITSUBISHI GAS CHEMICAL COMPANY, INC. Patent: EP1500641 A1, 2005 ; Location in patent: Page 9 ;
  • Route3
    • null|null
      124-38-9
    • null|null
      402-31-3
    • ~13%
    • In-stock
      2,4-Bis(trifluoromethyl)benzoic acid|CS-W010162
      32890-87-2
    • In-stock
      3,5-Bis(trifluoromethyl)benzoic acid|CS-W012544
      725-89-3

    References

    • Chemistry - A European Journal, , vol. 4, # 7 p. 1281 - 1286

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.4224
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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