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CS-W001157 4
Total: USD 88.00

2-(4-Nitrophenyl)propanenitrile

  • CAS No. 50712-63-5

  • Cat. No. CS-0323027
  • Purity≥98%
  • MDL No.None

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

2-(4-Nitrophenyl)propanenitrile|CS-0323027

Structure of 50712-63-5

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General Information

  • CAS No. 50712-63-5
  • Cat. No. CS-0323027
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 4-Nitrophenylpropionitrile
  • SMILES CC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      50-00-0
    • null|null
      555-21-5
    • ~60%
    • In-stock
      2-(4-Nitrophenyl)propanenitrile|CS-0323027
      50712-63-5

    References

    • Ramachary, Dhevalapally B.; Shiva Prasad Tetrahedron Letters, 2010 , vol. 51, # 40 p. 5246 - 5251
  • Route2
    • 2-(Phenylsulfanyl)propanenitrile|CS-0256384
      33695-43-1
    • null|null
      98-95-3
    • ~81%
    • In-stock
      2-(4-Nitrophenyl)propanenitrile|CS-0323027
      50712-63-5

    References

    • Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499
  • Route3
    • null|null
      38622-91-2
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~74%
    • In-stock
      2-(4-Nitrophenyl)propanenitrile|CS-0323027
      50712-63-5

    References

    • ELI LILLY AND COMPANY Patent: EP994110 A1, 2000 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.22188
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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