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3-(3-Nitrophenyl)-3-oxopropanenitrile

  • CAS No. 21667-64-1

  • Cat. No. CS-0312408
  • Molecule weight190.16
  • Purity≥97%
  • MDL No.MFCD00067918

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

3-(3-Nitrophenyl)-3-oxopropanenitrile|CS-0312408

Structure of 21667-64-1

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General Information

  • CAS No. 21667-64-1
  • Cat. No. CS-0312408
  • Purity ≥97%
  • MDL No. MFCD00067918
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₃
  • Molecular Weight 190.16
  • Synonym(s) m-Nitrophenacyl cyanide
  • SMILES N#CCC(C1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1

    References

    • Long Journal of the American Chemical Society, 1947 , vol. 69, p. 990,993
  • Route2

    References

    • Carabateas; Brundage; Gelotte; et al. Journal of Heterocyclic Chemistry, 1984 , vol. 21, # 6 p. 1849 - 1856
  • Route3
    • null|null
      93-58-3
    • ~%
    • 3-(3-Nitrophenyl)-3-oxopropanenitrile|CS-0312408
      21667-64-1

    References

    • Long Journal of the American Chemical Society, 1947 , vol. 69, p. 990,993

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   84
  • LogP   1.69118
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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