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CS-W001157 4
Total: USD 88.00

6-Nitro-2,3-dihydrophthalazine-1,4-dione

  • CAS No. 3682-19-7

  • Cat. No. CS-0089653
  • Purity95+%
  • MDL No.MFCD00006891

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

6-Nitro-2,3-dihydrophthalazine-1,4-dione|CS-0089653

Structure of 3682-19-7

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General Information

  • CAS No. 3682-19-7
  • Cat. No. CS-0089653
  • Purity 95+%
  • MDL No. MFCD00006891
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃O₄
  • Molecular Weight 207.14
  • Synonym(s) 4-Nitrophthalhydrazide (2,3-Dihydro-6-nitro-1,4-phthalazinedione
  • SMILES O=C(NN1)C2=CC=C([N+]([O-])=O)C=C2C1=O

Synthesis

  • Route1

    References

    • Roche Palo Alto LLC Patent: US2007/219195 A1, 2007 ; Location in patent: Page/Page column 60 ; US 20070219195 A1
  • Route2
    • 4-Nitrophthalic acid Apremilast Impurity|CS-0173715
      610-27-5
    • ~%
    • 6-Nitro-2,3-dihydrophthalazine-1,4-dione|CS-0089653
      3682-19-7

    References

    • Drew; Pearman Journal of the Chemical Society, 1937 , p. 26,31
  • Route3

    References

    • Watanabe, Nobuhisa; Kabasawa, Yasuhiro; Takase, Yasutaka; Matsukura, Masayuki; Miyazaki, Kazuki; Ishihara, Hiroki; Kodama, Kohtarou; Adachi, Hideyuki Journal of Medicinal Chemistry, 1998 , vol. 41, # 18 p. 3367 - 3372

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   108.86
  • LogP   0.1246
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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