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CS-W001157 4
Total: USD 88.00

2-Methyl-5-nitroisoquinolin-1(2H)-one

  • CAS No. 42792-96-1

  • Cat. No. CS-0452416
  • Purity≥98%
  • MDL No.None

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

2-Methyl-5-nitroisoquinolin-1(2H)-one|CS-0452416

Structure of 42792-96-1

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General Information

  • CAS No. 42792-96-1
  • Cat. No. CS-0452416
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) 2-Methyl-5-nitro-2H-isoquinolin-1-one
  • SMILES CN1C=CC2=C(C=CC=C2[N+](=O)[O-])C1=O

Synthesis

  • Route1
    • null|null
      77747-70-7
    • null|null
      74-89-5
    • ~88%
    • 2-Methyl-5-nitroisoquinolin-1(2H)-one|CS-0452416
      42792-96-1

    References

    • Somei; Karasawa; Shoda; Kaneko Chemical and Pharmaceutical Bulletin, 1981 , vol. 29, # 1 p. 249 - 253
  • Route2
    • 5-Nitro-1H-isochromen-1-one|CS-0102755
      77747-69-4
    • null|null
      74-89-5
    • ~81%
    • 2-Methyl-5-nitroisoquinolin-1(2H)-one|CS-0452416
      42792-96-1

    References

    • Somei; Karasawa; Shoda; Kaneko Chemical and Pharmaceutical Bulletin, 1981 , vol. 29, # 1 p. 249 - 253
  • Route3
    • 5-Nitro-1H-isochromen-1-one|CS-0102755
      77747-69-4
    • ~%
    • 2-Methyl-5-nitroisoquinolin-1(2H)-one|CS-0452416
      42792-96-1

    References

    • Somei; Karasawa; Shoda; Kaneko Chemical and Pharmaceutical Bulletin, 1981 , vol. 29, # 1 p. 249 - 253

Safety Information

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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   65.14
  • LogP   1.4467
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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