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CS-W001157 4
Total: USD 88.00

3-Oxo-3-(3,4-difluorophenyl)propanenitrile

  • CAS No. 71682-97-8

  • Cat. No. CS-0028795
  • Purity≥97%
  • MDL No.MFCD02260781

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

3-Oxo-3-(3,4-difluorophenyl)propanenitrile|CS-0028795

Structure of 71682-97-8

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General Information

  • CAS No. 71682-97-8
  • Cat. No. CS-0028795
  • Purity ≥97%
  • MDL No. MFCD02260781
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO
  • Molecular Weight 181.14
  • Synonym(s) NC1VR CF DF [WLN]
  • SMILES N#CCC(C1=CC(F)=C(F)C=C1)=O

Synthesis

  • Route1

    References

    • American Cyanamid Company Patent: US4173650 A1, 1979 ;
  • Route2
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      367-11-3
    • ~%
    • In-stock
      3-Oxo-3-(3,4-difluorophenyl)propanenitrile|CS-0028795
      71682-97-8

    References

    • Ridge; Hanifin; Harten; Johnson; Menschik; Nicolau; Sloboda; Watts Journal of Medicinal Chemistry, 1979 , vol. 22, # 11 p. 1385 - 1389
  • Route3
    • In-stock
      1-(3,4-Difluorophenyl)ethanone|CS-W016243
      369-33-5
    • null|null
      143-33-9
    • ~%
    • In-stock
      3-Oxo-3-(3,4-difluorophenyl)propanenitrile|CS-0028795
      71682-97-8

    References

    • Ridge; Hanifin; Harten; Johnson; Menschik; Nicolau; Sloboda; Watts Journal of Medicinal Chemistry, 1979 , vol. 22, # 11 p. 1385 - 1389

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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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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