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CS-W001157 4
Total: USD 88.00

4-Amino-3-nitrobenzonitrile

  • CAS No. 6393-40-4

  • Cat. No. CS-M0344
  • Purity≥98%
  • MDL No.MFCD00013373

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

4-Amino-3-nitrobenzonitrile|CS-M0344

Structure of 6393-40-4

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General Information

  • CAS No. 6393-40-4
  • Cat. No. CS-M0344
  • Purity ≥98%
  • MDL No. MFCD00013373
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₂
  • Molecular Weight 163.13
  • Synonym(s) Benzonitrile, 4-amino-3-nitro-
  • SMILES NC1=CC=C(C=C1[N+]([O-])=O)C#N

Description

4-Amino-3-nitrobenzonitrile features a dual-functionalized aromatic core with an electron-rich amino group and a strongly electron-withdrawing nitro and nitrile moiety. This combination enables precise tuning of electronic properties, facilitating use in conjugated systems and as a building block for functional dyes, pharmaceutical intermediates, and advanced materials.

Synthesis

  • Route1
    • N-(4-cyano-2-nitrophenyl)acetamide|CS-0517214
      29289-18-7
    • ~97%
    • In-stock
      4-Amino-3-nitrobenzonitrile|CS-M0344
      6393-40-4

    References

    • UNIVERSITY OF DELHI; TANDON, Vibha Patent: WO2004/63170 A1, 2004 ; Location in patent: Page 8 ;
  • Route2

    References

    • Journal of the Chemical Society, , p. 1722,1725
  • Route3
    • 4-Chloro-3-nitrobenzonitrile Alectinib Impurity|CS-0204133
      939-80-0
    • ~63%
    • In-stock
      4-Amino-3-nitrobenzonitrile|CS-M0344
      6393-40-4

    References

    • Jung; Delvare; Boucherot; Hamon; Ackerley; Betts Journal of Medicinal Chemistry, 1991 , vol. 34, # 3 p. 1110 - 1116

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92.95
  • LogP   1.04868
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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