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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonyl)benzamide

  • CAS No. 4461-38-5

  • Cat. No. CS-0452602
  • Molecule weight199.23
  • Purity≥98%
  • MDL No.None

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

4-(Methylsulfonyl)benzamide|CS-0452602

Structure of 4461-38-5

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General Information

  • CAS No. 4461-38-5
  • Cat. No. CS-0452602
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃S
  • Molecular Weight 199.23
  • Synonym(s) 4-Methanesulfonylbenzamide
  • SMILES CS(=O)(=O)C1=CC=C(C=C1)C(=O)N

Synthesis

  • Route1

    References

    • Fringuelli; Pellegrino; Piermatti; Pizzo Synthetic Communications, 1994 , vol. 24, # 18 p. 2665 - 2673
  • Route2
    • null|null
      850631-09-3
    • ~86%
    • 4-(Methylsulfonyl)benzamide|CS-0452602
      4461-38-5

    References

    • Rombouts, Frederik; Franken, Dennis; Martinez-Lamenca, Carolina; Braeken, Mirielle; Zavattaro, Chiara; Chen, Jinsheng; Trabanco, Andres A. Tetrahedron Letters, 2010 , vol. 51, # 37 p. 4815 - 4818
  • Route3

    References

    • Oxley et al. Journal of the Chemical Society, 1946 , p. 763,766

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

Quality Control

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Computational Chemistry Data

  • TPSA   77.23
  • LogP   0.189
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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