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CS-W001157 4
Total: USD 88.00

1-(2-Fluoropyridin-4-yl)ethan-1-one

  • CAS No. 111887-72-0

  • Cat. No. CS-0105960
  • Purity≥98%
  • MDL No.None

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

1-(2-Fluoropyridin-4-yl)ethan-1-one|CS-0105960

Structure of 111887-72-0

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General Information

  • CAS No. 111887-72-0
  • Cat. No. CS-0105960
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO
  • Molecular Weight 139.13
  • Synonym(s) Ethanone,1-(2-fluoro-4-pyridinyl)-
  • SMILES CC(C1=CC(F)=NC=C1)=O

Synthesis

  • Route1
    • 2-Fluoro-N-methoxy-N-methylisonicotinamide|CS-0602744
      774238-83-4
    • null|null
      75-16-1
    • ~94%
    • In-stock
      1-(2-Fluoropyridin-4-yl)ethan-1-one|CS-0105960
      111887-72-0

    References

    • WO2009/114552 A1, ; Page/Page column 156 ;
  • Route2
    • null|null
      917-64-6
    • 2-Fluoro-N-methoxy-N-methylisonicotinamide|CS-0602744
      774238-83-4
    • ~93%
    • In-stock
      1-(2-Fluoropyridin-4-yl)ethan-1-one|CS-0105960
      111887-72-0

    References

    • WO2005/84439 A1, ; Page/Page column 33 ; WO 2005/084439 A1
  • Route3
    • null|null
      75-16-1
    • In-stock
      2-Fluoroisonicotinonitrile|CS-W008229
      3939-14-8
    • ~%
    • In-stock
      1-(2-Fluoropyridin-4-yl)ethan-1-one|CS-0105960
      111887-72-0

    References

    • WO2010/25451 A2, ; Page/Page column 50-51 ;

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.4233
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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