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CS-W001157 4
Total: USD 88.00

Ethyl 3,5-bis(trifluoromethyl)benzoate

  • CAS No. 96617-71-9

  • Cat. No. CS-0314383
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD01320684

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

Ethyl 3,5-bis(trifluoromethyl)benzoate|CS-0314383

Structure of 96617-71-9

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General Information

  • CAS No. 96617-71-9
  • Cat. No. CS-0314383
  • Purity ≥98%
  • MDL No. MFCD01320684
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈F₆O₂
  • Molecular Weight None
  • Synonym(s) Benzoic acid, 3,5-bis(trifluoromethyl)-, ethyl ester
  • SMILES CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Synthesis

  • Route1
    • In-stock
      1-Iodo-3,5-bis(trifluoromethyl)benzene|CS-0020158
      328-73-4
    • null|null
      109-94-4
    • ~55%
    • In-stock
      Ethyl 3,5-bis(trifluoromethyl)benzoate|CS-0314383
      96617-71-9

    References

    • Ushijima, Sousuke; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2012 , vol. 68, # 24 p. 4701 - 4709

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-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.9009
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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