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CS-W001157 4
Total: USD 88.00

5-Methoxy-2-nitrobenzonitrile

  • CAS No. 38469-84-0

  • Cat. No. CS-0028759
  • Purity≥97%
  • MDL No.MFCD09056823

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

5-Methoxy-2-nitrobenzonitrile|CS-0028759

Structure of 38469-84-0

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General Information

  • CAS No. 38469-84-0
  • Cat. No. CS-0028759
  • Purity ≥97%
  • MDL No. MFCD09056823
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) NSC 263768
  • SMILES N#CC1=CC(OC)=CC=C1[N+]([O-])=O

Synthesis

  • Route1
    • 5-Methoxy-2-nitrobenzamide|CS-0665031
      41994-92-7
    • ~90%
    • In-stock
      5-Methoxy-2-nitrobenzonitrile|CS-0028759
      38469-84-0

    References

    • Kalypsys, Inc.; Alcon Research, Ltd Patent: US2010/120741 A1, 2010 ; Location in patent: Page/Page column 59 ; US 20100120741 A1
  • Route2

    References

    • KALYPSYS, INC.; BORCHARDT, Allen; DAVIS, Robert; BEAUREGARD, Clay; BECKER, Daniel; GAMACHE, Daniel; NOBLE, Stewart, A.; HELLBERG, Mark, R.; KLIMKO, Peter, G.; ZHIHAI, Qui; PAYNE, Joseph, E.; YANNI, John Patent: WO2011/112731 A2, 2011 ; Location in patent: Page/Page column 143 ; WO 2011/112731 A2
  • Route3
    • null|null
      67-56-1
    • In-stock
      5-Fluoro-2-nitrobenzonitrile|CS-W016064
      50594-78-0
    • ~89%
    • In-stock
      5-Methoxy-2-nitrobenzonitrile|CS-0028759
      38469-84-0

    References

    • SCHERING CORPORATION Patent: WO2009/5646 A2, 2009 ; Location in patent: Page/Page column 185-186 ; WO 2009/005646 A2

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   76.16
  • LogP   1.47508
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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