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CS-W001157 4
Total: USD 88.00

2-Methoxy-6-nitrobenzonitrile

  • CAS No. 38469-85-1

  • Cat. No. CS-0465390
  • Purity≥98%
  • MDL No.MFCD00053607

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

2-Methoxy-6-nitrobenzonitrile|CS-0465390

Structure of 38469-85-1

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General Information

  • CAS No. 38469-85-1
  • Cat. No. CS-0465390
  • Purity ≥98%
  • MDL No. MFCD00053607
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 6-Methoxy-2-nitrobenzonitrile
  • SMILES COC1=CC=CC(=C1C#N)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      67-56-1
    • 2,6-Dinitrobenzonitrile|CS-0132605
      35213-00-4
    • ~65%
    • 2-Methoxy-6-nitrobenzonitrile|CS-0465390
      38469-85-1

    References

    • Thurmond, John; Butchbach, Matthew E. R.; Palomo, Marty; Pease, Brian; Rao, Munagala; Bedell, Louis; Keyvan, Monica; Pai, Grace; Mishra, Rama; Haraldsson, Magnus; Andresson, Thorkell; Bragason, Gisli; Thosteinsdottir, Margret; Bjornsson, Jon Mar; Coovert, Daniel D.; Burghes, Arthur H. M.; Gurney, Mark E.; Singh, Jasbir Journal of Medicinal Chemistry, 2008 , vol. 51, # 3 p. 449 - 469
  • Route2

    References

    • Li, Wu; Sun, Peipei Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8362 - 8366
  • Route3
    • 2,6-Dinitrobenzoic acid|CS-0454055
      603-12-3
    • ~%
    • 2-Methoxy-6-nitrobenzonitrile|CS-0465390
      38469-85-1

    References

    • Sellstedt; Guinosso; Begany; Bell; Rosenthale Journal of Medicinal Chemistry, 1975 , vol. 18, # 9 p. 926 - 933

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

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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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