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CS-W001157 4
Total: USD 88.00

4-Bromo-3-nitrobenzonitrile

  • CAS No. 89642-49-9

  • Cat. No. CS-0041914
  • Purity≥98%
  • MDL No.MFCD00982006

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

4-Bromo-3-nitrobenzonitrile|CS-0041914

Structure of 89642-49-9

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General Information

  • CAS No. 89642-49-9
  • Cat. No. CS-0041914
  • Purity ≥98%
  • MDL No. MFCD00982006
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrN₂O₂
  • Molecular Weight 227.01
  • Synonym(s) 2-Bromo-5-cyanonitrobenzene
  • SMILES N#CC1=CC=C(Br)C([N+]([O-])=O)=C1

Application

4-Bromo-3-nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and pharmaceutical intermediates. Its orthogonal functional groups—bromine, nitro, and nitrile—facilitate sequential transformations via palladium-catalyzed cross-coupling, reduction, and cyclization reactions. The compound exhibits excellent bench stability and compatibility with standard purification methods, supporting reliable scalability in process development.

Synthesis

  • Route1
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      106-40-1
    • ~%
    • In-stock
      4-Bromo-3-nitrobenzonitrile|CS-0041914
      89642-49-9

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 41, p. 36

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.22898
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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