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CS-W001157 4
Total: USD 88.00

4-Oxo-4-(pyridin-3-yl)butanenitrile

  • CAS No. 36740-10-0

  • Cat. No. CS-0127119
  • Purity≥98%
  • MDL No.MFCD07841703

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

4-Oxo-4-(pyridin-3-yl)butanenitrile|CS-0127119

Structure of 36740-10-0

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General Information

  • CAS No. 36740-10-0
  • Cat. No. CS-0127119
  • Purity ≥98%
  • MDL No. MFCD07841703
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O
  • Molecular Weight 160.17
  • Synonym(s) 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE
  • SMILES N#CCCC(C1=CC=CN=C1)=O

Synthesis

  • Route1
    • null|null
      500-22-1
    • null|null
      107-13-1
    • ~80%
    • 4-Oxo-4-(pyridin-3-yl)butanenitrile|CS-0127119
      36740-10-0

    References

    • Langhals, Elke; Langhals, Heinz; Ruechardt, Christoph Liebigs Annalen der Chemie, 1982 , # 5 p. 930 - 949
  • Route2
    • 1-(Pyridin-3-yl)ethanone Imatinib Impurity|CS-0229620
      350-03-8
    • ~%
    • 4-Oxo-4-(pyridin-3-yl)butanenitrile|CS-0127119
      36740-10-0

    References

    • Mahboobi; Wiegrebe Archiv der Pharmazie, 1988 , vol. 321, # 3 p. 175 - 177
  • Route3
    • null|null
      104501-58-8
    • ~%
    • 4-Oxo-4-(pyridin-3-yl)butanenitrile|CS-0127119
      36740-10-0

    References

    • Mahboobi; Wiegrebe Archiv der Pharmazie, 1988 , vol. 321, # 3 p. 175 - 177

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.75
  • LogP   1.56808
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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