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3-(3,5-Bis(trifluoromethyl)phenyl)-3-oxopropanenitrile

  • CAS No. 267880-81-9

  • Cat. No. CS-0450355
  • Molecule weight281.15
  • Purity≥98%
  • MDL No.MFCD02260797

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

3-(3,5-Bis(trifluoromethyl)phenyl)-3-oxopropanenitrile|CS-0450355

Structure of 267880-81-9

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General Information

  • CAS No. 267880-81-9
  • Cat. No. CS-0450355
  • Purity ≥98%
  • MDL No. MFCD02260797
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₅F₆NO
  • Molecular Weight 281.15
  • Synonym(s) 3,5-Bis(Trifluoromethyl)Benzoylacetonitrile
  • SMILES C(C#N)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Synthesis

  • Route1
    • null|null
      773837-37-9
    • In-stock
      1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone|CS-0186233
      131805-94-2
    • ~76%
    • In-stock
      3-(3,5-Bis(trifluoromethyl)phenyl)-3-oxopropanenitrile|CS-0450355
      267880-81-9

    References

    • Indian Journal of Heterocyclic Chemistry, , vol. 21, # 1 p. 33 - 36

Safety Information

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   3.82058
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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