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CS-W001157 4
Total: USD 88.00

1-Nitro-3-(3-nitrophenyl)benzene

  • CAS No. 958-96-3

  • Cat. No. CS-0206716
  • Purity≥97%
  • MDL No.MFCD00047711

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

1-Nitro-3-(3-nitrophenyl)benzene|CS-0206716

Structure of 958-96-3

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General Information

  • CAS No. 958-96-3
  • Cat. No. CS-0206716
  • Purity ≥97%
  • MDL No. MFCD00047711
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂O₄
  • Molecular Weight 244.20
  • Synonym(s) 3,3'-Dinitrobiphenyl
  • SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Puthiaraj, Pillaiyar; Suresh, Palaniswamy; Pitchumani, Kasi Green Chemistry, 2014 , vol. 16, # 5 p. 2865 - 2875
  • Route2
    • null|null
      645-00-1
    • ~93%
    • 1-Nitro-3-(3-nitrophenyl)benzene|CS-0206716
      958-96-3

    References

    • Wu, Qiang; Wang, Lei Synthesis, 2008 , # 13 p. 2007 - 2012
  • Route3
    • null|null
      585-79-5
    • ~79%
    • 1-Nitro-3-(3-nitrophenyl)benzene|CS-0206716
      958-96-3

    References

    • Wang, Liang; Zhang, Yuhong; Liu, Leifang; Wang, Yanguang Journal of Organic Chemistry, 2006 , vol. 71, # 3 p. 1284 - 1287

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.28
  • LogP   3.17
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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