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CS-W001157 4
Total: USD 88.00

(E)-1-nitro-4-(2-nitroprop-1-en-1-yl)benzene

  • CAS No. 52287-53-3

  • Cat. No. CS-0363037
  • Purity≥98%
  • MDL No.None

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

(E)-1-nitro-4-(2-nitroprop-1-en-1-yl)benzene|CS-0363037

Structure of 52287-53-3

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General Information

  • CAS No. 52287-53-3
  • Cat. No. CS-0363037
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₄
  • Molecular Weight 208.17
  • Synonym(s) 1-nitro-4-[(1E)-2-nitroprop-1-en-1-yl]benzene
  • SMILES C/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Ballini, Roberto; Bigi, Franca; Gogni, Elena; Maggi, Raimondo; Sartori, Giovanni Journal of Catalysis, 2000 , vol. 191, # 2 p. 348 - 353
  • Route2
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      142839-98-3
    • ~%
    • (E)-1-nitro-4-(2-nitroprop-1-en-1-yl)benzene|CS-0363037
      52287-53-3

    References

    • Caldarelli, Marina; Habermann, Joerg; Ley, Steven V. Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 2 p. 107 - 110
  • Route3

    References

    • Caldarelli, Marina; Habermann, Joerg; Ley, Steven V. Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 2 p. 107 - 110

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H319-H372-H410
Precautionary Statements : P260-P264-P270-P273-P280-P305+P351+P338-P330-P391-P501

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Computational Chemistry Data

  • TPSA   86.28
  • LogP   2.2323
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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