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2-(6-Chloro-3-nitropyridin-2-yl)acetonitrile

  • CAS No. 123846-69-5

  • Cat. No. CS-0329226
  • Molecule weight197.58
  • Purity95+%
  • MDL No.None

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

2-(6-Chloro-3-nitropyridin-2-yl)acetonitrile|CS-0329226

Structure of 123846-69-5

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General Information

  • CAS No. 123846-69-5
  • Cat. No. CS-0329226
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClN₃O₂
  • Molecular Weight 197.58
  • Synonym(s) (6-Chloro-3-nitro-2-pyridyl)acetonitrile
  • SMILES C1=C(C(=NC(=C1)Cl)CC#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • PFIZER INC. Patent: EP436333 A2, 1991 ;
  • Route2

    References

    • Katz, R. B.; Voyle, M. Synthesis, 1989 , # 4 p. 314 - 316

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

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Computational Chemistry Data

  • TPSA   79.82
  • LogP   1.70928
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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