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CS-W001157 4
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3-(Pyridin-4-yl)propanenitrile

  • CAS No. 84200-06-6

  • Cat. No. CS-0317125
  • Molecule weight132.16
  • Purity≥96%
  • MDL No.None

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

3-(Pyridin-4-yl)propanenitrile|CS-0317125

Structure of 84200-06-6

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General Information

  • CAS No. 84200-06-6
  • Cat. No. CS-0317125
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) 4-Pyridinepropionitrile
  • SMILES C(CC1=CC=NC=C1)C#N

Synthesis

  • Route1
    • (e)-3-(Pyridin-4-yl)acrylonitrile|CS-0660653
      24490-79-7
    • ~68%
    • 3-(Pyridin-4-yl)propanenitrile|CS-0317125
      84200-06-6

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1424336 A1, 2004 ; Location in patent: Page 245 ;
  • Route2
    • 3-(Pyridin-4-yl)propanamide|CS-0239032
      84200-07-7
    • ~76%
    • 3-(Pyridin-4-yl)propanenitrile|CS-0317125
      84200-06-6

    References

    • Hoffmann-La Roche Inc. Patent: US4431653 A1, 1984 ;
  • Route3
    • 4-(2-Chloroethyl)pyridine|CS-0699642
      28148-48-3
    • null|null
      151-50-8
    • ~%
    • 3-(Pyridin-4-yl)propanenitrile|CS-0317125
      84200-06-6

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 25 p. 5458 - 5470

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.53778
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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