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CS-W001157 4
Total: USD 88.00

3-Nitro-5-(trifluoromethyl)picolinonitrile

  • CAS No. 866775-16-8

  • Cat. No. CS-0169572
  • Purity≥97%
  • MDL No.None

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

3-Nitro-5-(trifluoromethyl)picolinonitrile|CS-0169572

Structure of 866775-16-8

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General Information

  • CAS No. 866775-16-8
  • Cat. No. CS-0169572
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂F₃N₃O₂
  • Molecular Weight 217.10
  • Synonym(s) 5-trifluoromethyl-3-nitropyridine-2-carbonitrile
  • SMILES N#CC1=NC=C(C(F)(F)F)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      544-92-3
    • In-stock
      2-Chloro-3-nitro-5-(trifluoromethyl)pyridine|CS-W005659
      72587-15-6
    • ~54%
    • In-stock
      3-Nitro-5-(trifluoromethyl)picolinonitrile|CS-0169572
      866775-16-8

    References

    • ELI LILLY AND COMPANY Patent: WO2005/97805 A1, 2005 ; Location in patent: Page/Page column 62 ;
  • Route2

    References

    • NOVARTIS AG; BALA, Kamlesh, Jagdis; BUTLER, Rebecca; COLLINGWOOD, Stephen, Paul; HALL, Edward, Charles; EDWARDS, Lee; LEGRAND, Darren, Mark; SPIEGEL, Katrin Patent: WO2013/38386 A1, 2013 ; Location in patent: Page/Page column 81 ;
  • Route3

    References

    • NOVARTIS AG Patent: US2011/230483 A1, 2011 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   79.82
  • LogP   1.88028
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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