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CS-W001157 4
Total: USD 88.00

3-Oxo-3-(2-pyridinyl)propanenitrile

  • CAS No. 54123-21-6

  • Cat. No. CS-W001589
  • Purity≥97%
  • MDL No.MFCD06656806

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

3-Oxo-3-(2-pyridinyl)propanenitrile|CS-W001589

Structure of 54123-21-6

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General Information

  • CAS No. 54123-21-6
  • Cat. No. CS-W001589
  • Purity ≥97%
  • MDL No. MFCD06656806
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O
  • Molecular Weight 146.15
  • Synonym(s) 3-Oxo-3-(pyridin-2-yl)propanonitril
  • SMILES N#CCC(C1=CC=CC=N1)=O

Synthesis

  • Route1
    • In-stock
      Ethyl 2-picolinate|CS-W008053
      2524-52-9
    • null|null
      75-05-8
    • ~68%
    • In-stock
      3-Oxo-3-(2-pyridinyl)propanenitrile|CS-W001589
      54123-21-6

    References

    • Tetrahedron Letters, , vol. 47, # 15 p. 2531 - 2534
  • Route2

    References

    • WO2011/126903 A2, ; WO 2011/126903 A2

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   53.75
  • LogP   1.17798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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