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CS-W001157 4
Total: USD 88.00

N-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetamide

  • CAS No. 81864-14-4

  • Cat. No. CS-0362356
  • Purity95+%
  • MDL No.None

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

N-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetamide|CS-0362356

Structure of 81864-14-4

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General Information

  • CAS No. 81864-14-4
  • Cat. No. CS-0362356
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₅
  • Molecular Weight 224.17
  • Synonym(s) N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide
  • SMILES CC(NC1=CC2=C(OCO2)C=C1[N+]([O-])=O)=O

Synthesis

  • Route1
    • N-(Benzo[d][1,3]dioxol-5-yl)acetamide|CS-0206000
      13067-19-1
    • ~97%
    • N-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetamide|CS-0362356
      81864-14-4

    References

    • Hay, Michael P.; Hicks, Kevin O.; Pchalek, Karin; Lee, Ho H.; Blaser, Adrian; Pruijn, Frederik B.; Anderson, Robert F.; Shinde, Sujata S.; Wilson, William R.; Denny, William A. Journal of Medicinal Chemistry, 2008 , vol. 51, # 21 p. 6853 - 6865
  • Route2
    • null|null
      108-24-7
    • ~%
    • N-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetamide|CS-0362356
      81864-14-4

    References

    • Jones; Robinson Journal of the Chemical Society, 1917 , vol. 111, p. 913

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   90.7
  • LogP   1.2819
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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