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CS-W001157 4
Total: USD 88.00

2-(5-Nitropyridin-2-yl)acetonitrile

  • CAS No. 123846-66-2

  • Cat. No. CS-0092651
  • Purity≥97%
  • MDL No.MFCD09033814

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

2-(5-Nitropyridin-2-yl)acetonitrile|CS-0092651

Structure of 123846-66-2

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General Information

  • CAS No. 123846-66-2
  • Cat. No. CS-0092651
  • Purity ≥97%
  • MDL No. MFCD09033814
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₂
  • Molecular Weight 163.13
  • Synonym(s) 5-Nitro-2-pyridineacetonitrile
  • SMILES N#CCC1=NC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • tert-Butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate|CS-0678141
      914223-27-1
    • ~41%
    • In-stock
      2-(5-Nitropyridin-2-yl)acetonitrile|CS-0092651
      123846-66-2

    References

    • Su, Weiguo; Zhang, Weihan; Yang, Haibin Patent: US2013/190307 A1, 2013 ; Location in patent: Paragraph 0146; 0148 ;
  • Route2

    References

    • ABBOTT GMBH and CO. KG Patent: WO2006/40179 A1, 2006 ; Location in patent: Page/Page column 114-115 ; WO 2006/040179 A1
  • Route3

    References

    • Chemistry of Heterocyclic Compounds, , vol. 38, # 7 p. 805 - 809

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   79.82
  • LogP   1.05588
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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