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CS-W001157 4
Total: USD 88.00

1-Iodo-3-methoxy-5-nitro-benzene

  • CAS No. 79990-25-3

  • Cat. No. CS-0342144
  • Purity≥96%
  • MDL No.None

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

1-Iodo-3-methoxy-5-nitro-benzene|CS-0342144

Structure of 79990-25-3

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General Information

  • CAS No. 79990-25-3
  • Cat. No. CS-0342144
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆INO₃
  • Molecular Weight 279.03
  • Synonym(s) 1-iodo-3-Methoxy-5-nitrobenzene
  • SMILES COC1=CC(=CC(=C1)[N+](=O)[O-])I

Synthesis

  • Route1

    References

    • Agouron Pharmaceuticals, Inc. Patent: US6369226 B1, 2002 ; Location in patent: Page column 13 ; US 6369226 B1
  • Route2
    • 1-Iodo-3,5-dinitrobenzene|CS-0263303
      6276-04-6
    • ~10%
    • 1-Iodo-3-methoxy-5-nitro-benzene|CS-0342144
      79990-25-3

    References

    • Alanine, Alexander; Flohr, Alexander; Miller, Aubry Kern; Norcross, Roger David; Riemer, Claus Patent: US2002/45615 A1, 2002 ;
  • Route3
    • 1-Iodo-3,5-dinitrobenzene|CS-0263303
      6276-04-6
    • null|null
      124-41-4
    • ~90%
    • 1-Iodo-3-methoxy-5-nitro-benzene|CS-0342144
      79990-25-3

    References

    • Jorgensen, William L.; Bollini, Mariela; Thakur, Vinay V.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S. Journal of the American Chemical Society, 2011 , vol. 133, # 39 p. 15686 - 15696

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   52.37
  • LogP   2.208
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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