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CS-W001157 4
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5-Nitro-2-(phenylthio)benzaldehyde

  • CAS No. 52548-32-0

  • Cat. No. CS-0322980
  • Molecule weight259.28
  • Purity95+%
  • MDL No.None

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

5-Nitro-2-(phenylthio)benzaldehyde|CS-0322980

Structure of 52548-32-0

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General Information

  • CAS No. 52548-32-0
  • Cat. No. CS-0322980
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO₃S
  • Molecular Weight 259.28
  • Synonym(s) 3-nitro-6-(phenylthio)-benzaldehyde
  • SMILES C1=CC=C(C=C1)SC2=CC=C(C=C2C=O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Beers, Scott A.; Malloy, Elizabeth A.; Wu, Wei; Wachter, Michael P.; Gunnia, Uma; Cavender, Druie; Harris, Crafford; Davis, Janet; Brosius, Ruth; Pellegrino-Gensey, J. Lee; Siekierka, John Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 12 p. 2203 - 2211
  • Route2
    • null|null
      52548-29-5
    • null|null
      108-98-5
    • In-stock
      2-Chloro-5-nitrobenzaldehyde|CS-0008366
      6361-21-3
    • ~%
    • 5-Nitro-2-(phenylthio)benzaldehyde|CS-0322980
      52548-32-0

    References

    • Hoffmann-La Roche Inc. Patent: US4006144 A1, 1977 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   3.5585
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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