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CS-W001157 4
Total: USD 88.00

3,5-Dinitro-1,1'-biphenyl

  • CAS No. 56813-80-0

  • Cat. No. CS-0161176
  • Purity≥97%
  • MDL No.None

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

3,5-Dinitro-1,1'-biphenyl|CS-0161176

Structure of 56813-80-0

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General Information

  • CAS No. 56813-80-0
  • Cat. No. CS-0161176
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂O₄
  • Molecular Weight 244.20
  • Synonym(s) 1,3-dinitro-5-phenylbenzene
  • SMILES O=[N+](C1=CC([N+]([O-])=O)=CC(C2=CC=CC=C2)=C1)[O-]

Synthesis

  • Route1
    • null|null
      618-87-1
    • ~%
    • 3,5-Dinitro-1,1'-biphenyl|CS-0161176
      56813-80-0

    References

    • Kosynkin, Dmitry; Bockman, T. Michael; Kochi, Jay K. Journal of the Chemical Society. Perkin Transactions 2, 1997 , # 10 p. 2003 - 2012
  • Route2

    References

    • Severin,T. et al. Chemische Berichte, 1971 , vol. 104, p. 2856 - 2863
  • Route3

    References

    • Severin,T.; Ipach,I. Chemische Berichte, 1976 , vol. 109, p. 3541 - 3546

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅱ
Hazard Statements : H228-H315-H319
Precautionary Statements : P210-P240-P241-P264-P280-P302+P352-P362+P364-P370+P378

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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