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CS-W001157 4
Total: USD 88.00

4-(4-(Trifluoromethyl)phenoxy)benzoic acid

  • CAS No. 78161-82-7

  • Cat. No. CS-0035462
  • Molecule weight282.22
  • Purity≥97%
  • MDL No.MFCD03840158

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

4-(4-(Trifluoromethyl)phenoxy)benzoic acid|CS-0035462

Structure of 78161-82-7

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General Information

  • CAS No. 78161-82-7
  • Cat. No. CS-0035462
  • Purity ≥97%
  • MDL No. MFCD03840158
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉F₃O₃
  • Molecular Weight 282.22
  • Synonym(s) 4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID
  • SMILES C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=O)O

Synthesis

  • Route1
    • null|null
      402-54-0
    • 4-Hydroxybenzoic acid  Cetirizine Impurity|CS-0167040
      99-96-7
    • ~%
    • In-stock
      4-(4-(Trifluoromethyl)phenoxy)benzoic acid|CS-0035462
      78161-82-7

    References

    • SmithKline Beecham Corporation Patent: US6518267 B1, 2003 ; US 6518267 B1
  • Route2
    • 4-(Trifluoromethyl)phenol Fluoxetine  Impurity|CS-0229006
      402-45-9
    • null|null
      1194-02-1
    • ~18%
    • 4-(4-(Trifluoromethyl)phenoxy)benzonitrile|CS-0722935
      860004-31-5
    • In-stock
      4-(4-(Trifluoromethyl)phenoxy)benzoic acid|CS-0035462
      78161-82-7

    References

    • Li, Feng; Meng, Qingqing; Chen, Huansheng; Li, Zhiming; Wang, Quanrui; Tao, Fenggang Synthesis, 2005 , # 8 art. no. F13304SS, p. 1305 - 1313

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   4.1959
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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