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CS-W001157 4
Total: USD 88.00

4-Aminobenzonitrile

  • CAS No. 873-74-5

  • Cat. No. CS-D1531
  • Molecule weight118.14
  • Purity≥97%
  • MDL No.MFCD00007821

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

4-Aminobenzonitrile|CS-D1531

Structure of 873-74-5

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General Information

  • CAS No. 873-74-5
  • Cat. No. CS-D1531
  • Purity ≥97%
  • MDL No. MFCD00007821
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) 4-Aminobenzonitrile; 1-Amino-4-cyanobenzene; 4-Aminobenzenenitrile; 4-Aminophenylnitrile; 4-Cyanoaniline; 4-Cyanobenzenamine; Para-Amino Benzo Nitrile
  • SMILES NC1=CC=C(C#N)C=C1

Description

4-Aminobenzonitrile was used as derivatization reagent in capillary zone electrophoretic analysis of aldoses, ketoses and uronic acid. It was used in the synthesis of methacrylic monomers containing pendant azobenzene structures and polythiophenes containing an azobenzene moiety in the side-chain.

Application

4-Aminobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic scaffolds. The ortho-directed reactivity of the amino and nitrile groups facilitates sequential transformations, including amidation, cyclization, and transition-metal-catalyzed coupling reactions. Its bench stability and ease of purification make it well-suited for iterative synthesis workflows and API intermediate development.

Synthesis

  • Route1

    References

    • Lee, Dae-Yon; Hartwig, John F. Organic Letters, 2005 , vol. 7, # 6 p. 1169 - 1172
  • Route2
    • 2-(4-Cyanophenoxy)propanamide|CS-0241687
      1040041-89-1
    • ~85%
    • In-stock
      4-Aminobenzonitrile|CS-D1531
      873-74-5

    References

    • Yu, Jianzhong; Zhang, Peizhi; Wu, Jun; Shang, Zhicai Tetrahedron Letters, 2013 , vol. 54, # 24 p. 3167 - 3170
  • Route3

    References

    • Lee, Dae-Yon; Hartwig, John F. Organic Letters, 2005 , vol. 7, # 6 p. 1169 - 1172

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P301+P330+P331-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.14048
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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