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3-(2,3-Difluorophenyl)-3-oxopropanenitrile

  • CAS No. 267880-87-5

  • Cat. No. CS-0359429
  • Purity≥98%
  • MDL No.MFCD02260803

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

3-(2,3-Difluorophenyl)-3-oxopropanenitrile|CS-0359429

Structure of 267880-87-5

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General Information

  • CAS No. 267880-87-5
  • Cat. No. CS-0359429
  • Purity ≥98%
  • MDL No. MFCD02260803
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO
  • Molecular Weight 181.14
  • Synonym(s) 2,3-Difluorobenzoylacetonitrile
  • SMILES C1=CC(=C(C(=C1)F)F)C(=O)CC#N

Synthesis

  • Route1
    • 2-Bromo-2',3'-difluoroacetophenone|CS-0207093
      886762-77-2
    • null|null
      143-33-9
    • ~%
    • In-stock
      3-(2,3-Difluorophenyl)-3-oxopropanenitrile|CS-0359429
      267880-87-5

    References

    • US2005/272699 A1, ; Page/Page column 19 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.06118
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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