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CS-W001157 4
Total: USD 88.00

4-Nitrobenzonitrile

  • CAS No. 619-72-7

  • Cat. No. CS-W018191
  • Purity≥98%
  • MDL No.MFCD00007279

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

4-Nitrobenzonitrile|CS-W018191

Structure of 619-72-7

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General Information

  • CAS No. 619-72-7
  • Cat. No. CS-W018191
  • Purity ≥98%
  • MDL No. MFCD00007279
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₂
  • Molecular Weight 148.12
  • Synonym(s) para-nitrobenzonitrile
  • SMILES N#CC1=CC=C([N+]([O-])=O)C=C1

Description

4-Nitrobenzonitrile features a para-configured nitro group and nitrile moiety on a benzene ring, delivering high electron deficiency for use in nucleophilic aromatic substitution. This bench-stable compound integrates readily into synthetic routes requiring strong electron-withdrawing functionality.

Application

4-Nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic systems through selective transformations of both nitro and nitrile groups. Its dual electrophilic functionalities facilitate sequential derivatization—such as reduction to amino nitriles or coupling reactions in cross-coupling protocols—while maintaining stability under standard bench conditions. The compound is well-suited for medicinal chemistry applications and API intermediate synthesis due to its predictable reactivity and ease of purification.

Synthesis

  • Route1

    References

    • Rokade, Balaji V.; Prabhu, Kandikere Ramaiah Journal of Organic Chemistry, 2012 , vol. 77, # 12 p. 5364 - 5370
  • Route2
    • null|null
      17271-88-4
    • ~90%
    • In-stock
      4-Nitrobenzonitrile|CS-W018191
      619-72-7

    References

    • Lamani, Manjunath; Devadig, Pradeep; Prabhu, Kandikere Ramaiah Organic and Biomolecular Chemistry, 2012 , vol. 10, # 14 p. 2753 - 2759
  • Route3
    • N,N-Dimethyl-4-nitrobenzamide|CS-0207134
      7291-01-2
    • ~92%
    • In-stock
      4-Nitrobenzonitrile|CS-W018191
      619-72-7

    References

    • Suzuki, Yusuke; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2011 , vol. 67, # 41 p. 7956 - 7962

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H300-H311+H331-H402
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.46648
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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