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CS-W001157 4
Total: USD 88.00

3-(4-Nitrophenyl)-3-oxopropanenitrile

  • CAS No. 3383-43-5

  • Cat. No. CS-0142297
  • Molecule weight190.16
  • Purity≥98%
  • MDL No.MFCD00463893

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

3-(4-Nitrophenyl)-3-oxopropanenitrile|CS-0142297

Structure of 3383-43-5

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General Information

  • CAS No. 3383-43-5
  • Cat. No. CS-0142297
  • Purity ≥98%
  • MDL No. MFCD00463893
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₃
  • Molecular Weight 190.16
  • Synonym(s) 4-Nitrobenzoylacetonitrile
  • SMILES N#CCC(C1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1
    • null|null
      133550-24-0
    • ~85%
    • In-stock
      3-(4-Nitrophenyl)-3-oxopropanenitrile|CS-0142297
      3383-43-5

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 6 p. 1896 - 1907
  • Route2
    • null|null
      122-04-3
    • null|null
      372-09-8
    • ~52%
    • In-stock
      3-(4-Nitrophenyl)-3-oxopropanenitrile|CS-0142297
      3383-43-5

    References

    • Journal of Medicinal Chemistry, , vol. 42, # 18 p. 3629 - 3635
  • Route3

    References

    • US2002/65289 A1, ;

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+H312+H332-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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