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CS-W001157 4
Total: USD 88.00

6-Nitro-2H-1,3-benzodioxol-5-amine

  • CAS No. 64993-07-3

  • Cat. No. CS-0071477
  • Purity≥96%
  • MDL No.MFCD00184722

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

6-Nitro-2H-1,3-benzodioxol-5-amine|CS-0071477

Structure of 64993-07-3

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General Information

  • CAS No. 64993-07-3
  • Cat. No. CS-0071477
  • Purity ≥96%
  • MDL No. MFCD00184722
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₄
  • Molecular Weight 182.13
  • Synonym(s) 6-Nitro-1,3-benzodioxol-5-amine
  • SMILES [O-][N+](C1=C(N)C=C2OCOC2=C1)=O

Synthesis

  • Route1
    • N-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetamide|CS-0362356
      81864-14-4
    • ~78%
    • In-stock
      6-Nitro-2H-1,3-benzodioxol-5-amine|CS-0071477
      64993-07-3

    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
    • 5,6-Dinitrobenzo[d][1,3]dioxole|CS-0313417
      7748-59-6
    • ~83%
    • In-stock
      6-Nitro-2H-1,3-benzodioxol-5-amine|CS-0071477
      64993-07-3

    References

    • Cai, Xiong; Qian, Changgeng; Zhai, Haixiao Patent: US2008/234314 A1, 2008 ; Location in patent: Page/Page column 59 ; US 20080234314 A1
  • Route3
    • null|null
      64-17-5
    • 5-Chloro-6-nitro-1,3-benzodioxole|CS-0212222
      7748-57-4
    • null|null
      7664-41-7
    • ~%
    • In-stock
      6-Nitro-2H-1,3-benzodioxol-5-amine|CS-0071477
      64993-07-3

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 49, p. 33,41

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+H332-H315-H319-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   87.62
  • LogP   0.9057
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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