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CS-W001157 4
Total: USD 88.00

3-(2,5-Difluorophenyl)-3-oxopropanenitrile

  • CAS No. 71682-96-7

  • Cat. No. CS-0319519
  • Purity95+%
  • MDL No.None

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

3-(2,5-Difluorophenyl)-3-oxopropanenitrile|CS-0319519

Structure of 71682-96-7

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General Information

  • CAS No. 71682-96-7
  • Cat. No. CS-0319519
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO
  • Molecular Weight 181.14
  • Synonym(s) 2,5-DIFLUOROBENZOYLACETONITRILE
  • SMILES C1=CC(=C(C=C1F)C(=O)CC#N)F

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 5 p. 1291 - 1295
  • Route2
    • null|null
      143-33-9
    • 2-Bromo-1-(2,5-difluorophenyl)ethan-1-one|CS-0450435
      258513-41-6
    • ~%
    • 3-(2,5-Difluorophenyl)-3-oxopropanenitrile|CS-0319519
      71682-96-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 5 p. 1291 - 1295
  • Route3
    • null|null
      540-36-3
    • null|null
      143-33-9
    • null|null
      75-36-5
    • ~%
    • 3-(2,5-Difluorophenyl)-3-oxopropanenitrile|CS-0319519
      71682-96-7

    References

    • Journal of Medicinal Chemistry, , vol. 22, # 11 p. 1385 - 1389

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
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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