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CS-W001157 4
Total: USD 88.00

7-Nitroisoquinoline

  • CAS No. 13058-73-6

  • Cat. No. CS-0131688
  • Purity≥96%
  • MDL No.MFCD09264588

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

7-Nitroisoquinoline|CS-0131688

Structure of 13058-73-6

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General Information

  • CAS No. 13058-73-6
  • Cat. No. CS-0131688
  • Purity ≥96%
  • MDL No. MFCD09264588
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₂
  • Molecular Weight 174.16
  • Synonym(s) 7-Nitro-isochinolin
  • SMILES O=[N+](C1=CC2=C(C=C1)C=CN=C2)[O-]

Synthesis

  • Route1
    • 7-Nitro-3,4-dihydroisoquinoline|CS-0668739
      62541-59-7
    • ~89%
    • In-stock
      7-Nitroisoquinoline|CS-0131688
      13058-73-6

    References

    • Shi, Jun; Manolikakes, Georg; Yeh, Chien-Hung; Guerrero, Carlos A.; Shenvi, Ryan A.; Shigehisa, Hiroki; Baran, Phil S. Journal of the American Chemical Society, 2011 , vol. 133, # 20 p. 8014 - 8027
  • Route2

    References

    • Deiters, Emmanuel; Song, Bo; Chauvin, Anne-Sophie; Vandevyver, Caroline D. B.; Gumy, Frederic; Buenzli, Jean-Claude G. Chemistry - A European Journal, 2009 , vol. 15, # 4 p. 885 - 900
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 6, p. 497,500

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.03
  • LogP   2.143
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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