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CS-W001157 4
Total: USD 88.00

4-(4-Nitrobenzoyl)benzonitrile

  • CAS No. 68271-77-2

  • Cat. No. CS-0580364
  • Purity≥98%
  • MDL No.None

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

4-(4-Nitrobenzoyl)benzonitrile|CS-0580364

Structure of 68271-77-2

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General Information

  • CAS No. 68271-77-2
  • Cat. No. CS-0580364
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₈N₂O₃
  • Molecular Weight 252.22
  • Synonym(s) 4-Cyano-4'-nitrobenzophenone
  • SMILES C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      636-98-6
    • null|null
      201230-82-2
    • In-stock
      4-Cyanobenzeneboronic acid|CS-B0849
      126747-14-6
    • ~91%
    • 4-(4-Nitrobenzoyl)benzonitrile|CS-0580364
      68271-77-2

    References

    • Zhong, Yanzhen; Han, Wei Chemical Communications, 2014 , vol. 50, # 29 p. 3874 - 3877
  • Route2

    References

    • Gorvin, John H. Journal of Chemical Research, Miniprint, 1990 , # 7 p. 1662 - 1681

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   84
  • LogP   2.69748
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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