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CS-W001157 4
Total: USD 88.00

3-Methoxy-4-nitrobenzonitrile

  • CAS No. 177476-75-4

  • Cat. No. CS-0172549
  • Purity≥98%
  • MDL No.None

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

3-Methoxy-4-nitrobenzonitrile|CS-0172549

Structure of 177476-75-4

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General Information

  • CAS No. 177476-75-4
  • Cat. No. CS-0172549
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₃
  • Molecular Weight 178.14
  • Synonym(s) 5-Cyano-2-nitroanisole, 4-Cyano-2-methoxynitrobenzene
  • SMILES COC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2005/82901 A1, 2005 ; Location in patent: Page/Page column 39 ;
  • Route2
    • null|null
      1527-89-5
    • ~20%
    • In-stock
      3-Methoxy-4-nitrobenzonitrile|CS-0172549
      177476-75-4
    • null|null
      177476-72-1

    References

    • American Home Products Corporation Patent: US5506252 A1, 1996 ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 44, # 17 p. 2753 - 2771

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
Precautionary Statements : P264-P270-P330-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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