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1-((4-Nitrophenyl)thio)propan-2-one

  • CAS No. 25784-85-4

  • Cat. No. CS-0516870
  • Molecule weight211.24
  • Purity≥98%
  • MDL No.None

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

1-((4-Nitrophenyl)thio)propan-2-one|CS-0516870

Structure of 25784-85-4

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General Information

  • CAS No. 25784-85-4
  • Cat. No. CS-0516870
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃S
  • Molecular Weight 211.24
  • Synonym(s) 2-Propanone, 1-(p-nitrophenylthio)-
  • SMILES CC(CSC1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1

    References

    • G. D. Searle and Company Patent: US6362183 B1, 2002 ; Location in patent: Example 14 ; US 6362183 B1
  • Route2

    References

    • Lee, Bobby W. K.; Sun, He G.; Zang, Tianzhu; Ju-Kim, Byung; Alfaro, Joshua F.; Zhou, Zhaohui Sunny Journal of the American Chemical Society, 2010 , vol. 132, # 11 p. 3642 - 3643
  • Route3
    • 4-Nitrophenyl hypochlorothioite|CS-0462322
      937-32-6
    • null|null
      67-64-1
    • ~%
    • 1-((4-Nitrophenyl)thio)propan-2-one|CS-0516870
      25784-85-4

    References

    • Zincke; Lenhardt Justus Liebigs Annalen der Chemie, 1913 , vol. 400, p. 27

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   60.21
  • LogP   2.2759
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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