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CS-W001157 4
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7-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepine

  • CAS No. 78288-94-5

  • Cat. No. CS-0466434
  • Molecule weight195.17
  • Purity≥98%
  • MDL No.MFCD00508323

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

7-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepine|CS-0466434

Structure of 78288-94-5

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General Information

  • CAS No. 78288-94-5
  • Cat. No. CS-0466434
  • Purity ≥98%
  • MDL No. MFCD00508323
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 7-nitro-3,4-dihydro-2H-1,5-benzodioxepine
  • SMILES C1COC2=C(C=C(C=C2)[N+](=O)[O-])OC1

Synthesis

  • Route1

    References

    • Ouerghui, Abid; Hlel, Faouzi; Meganem, Faouzi Revue Roumaine de Chimie, 2003 , vol. 48, # 2 p. 125 - 130
  • Route2

    References

    • Chilin, Adriana; Conconi, Maria Teresa; Marzaro, Giovanni; Guiotto, Adriano; Urbani, Luca; Tonus, Francesca; Parnigotto, Pierpaolo Journal of Medicinal Chemistry, 2010 , vol. 53, # 4 p. 1862 - 1866
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 28, # 3 p. 625 - 634

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   61.6
  • LogP   1.7561
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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