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CS-W001157 4
Total: USD 88.00

7-Nitro-3,4-dihydroisoquinolin-1(2H)-one

  • CAS No. 22245-96-1

  • Cat. No. CS-0149706
  • Purity≥97%
  • MDL No.MFCD08437646

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

7-Nitro-3,4-dihydroisoquinolin-1(2H)-one|CS-0149706

Structure of 22245-96-1

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General Information

  • CAS No. 22245-96-1
  • Cat. No. CS-0149706
  • Purity ≥97%
  • MDL No. MFCD08437646
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₃
  • Molecular Weight 192.17
  • Synonym(s) 7-NITRO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
  • SMILES O=C1NCCC2=C1C=C([N+]([O-])=O)C=C2

Synthesis

  • Route1

    References

    • Girard; Atkinson; Belanger; et al. Journal of Organic Chemistry, 1983 , vol. 48, # 19 p. 3220 - 3234
  • Route2
    • null|null
      86288-79-1
    • ~86%
    • In-stock
      7-Nitro-3,4-dihydroisoquinolin-1(2H)-one|CS-0149706
      22245-96-1

    References

    • Girard; Atkinson; Belanger; et al. Journal of Organic Chemistry, 1983 , vol. 48, # 19 p. 3220 - 3234
  • Route3
    • 1,2,3,4-Tetrahydroisoquinoline-1-thione|CS-0261447
      6552-60-9
    • ~%
    • In-stock
      7-Nitro-3,4-dihydroisoquinolin-1(2H)-one|CS-0149706
      22245-96-1

    References

    • Journal of Organic Chemistry, , vol. 48, # 19 p. 3220 - 3234

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

Quality Control

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   0.8807
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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