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CS-W001157 4
Total: USD 88.00

5-Nitroisoquinolin-1(2H)-one

  • CAS No. 82827-08-5

  • Cat. No. CS-0131950
  • Purity≥97%
  • MDL No.None

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

5-Nitroisoquinolin-1(2H)-one|CS-0131950

Structure of 82827-08-5

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General Information

  • CAS No. 82827-08-5
  • Cat. No. CS-0131950
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₃
  • Molecular Weight 190.16
  • Synonym(s) 5-Nitroisoquinolin-1-ol
  • SMILES O=C1NC=CC2=C1C=CC=C2[N+]([O-])=O

Synthesis

  • Route1
    • 5-Nitro-1H-isochromen-1-one|CS-0102755
      77747-69-4
    • ~78%
    • In-stock
      5-Nitroisoquinolin-1(2H)-one|CS-0131950
      82827-08-5

    References

    • Rehwinkel, Hartmut; Baeurle, Stefan; Berger, Markus; Schmees, Norbert; Schaecke, Heike; Krolikiewicz, Konrad; Mengel, Anne; Nguyen, Duy; Jaroch, Stefan; Skuballa, Werner Patent: US2005/131226 A1, 2005 ; Location in patent: Page/Page column 8 ;
  • Route2

    References

    • Wozniak, Marian; Baranski, Andrzej; Nowak, Krystyna; Poradowska, Henryka Liebigs Annalen der Chemie, 1990 , # 7 p. 653 - 657
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 35, # 18 p. 3307 - 3319

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
Precautionary Statements : P260-P270-P280-P402+P404

Quality Control

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Computational Chemistry Data

  • TPSA   76
  • LogP   1.4363
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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