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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonyl)benzohydrazide

  • CAS No. 53554-94-2

  • Cat. No. CS-0303700
  • Purity95+%
  • MDL No.None

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

4-(Methylsulfonyl)benzohydrazide|CS-0303700

Structure of 53554-94-2

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General Information

  • CAS No. 53554-94-2
  • Cat. No. CS-0303700
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₃S
  • Molecular Weight 214.24
  • Synonym(s) Benzoic acid, 4-(methylsulfonyl)-, hydrazide
  • SMILES CS(=O)(=O)C1=CC=C(C=C1)C(=O)NN

Synthesis

  • Route1
    • Ethyl 4-(methylsulfonyl)benzoate|CS-0319688
      6274-54-0
    • ~90%
    • 4-(Methylsulfonyl)benzohydrazide|CS-0303700
      53554-94-2

    References

    • Almansa, Carmen; Alfon, Jose; De Arriba, Alberto F.; Cavalcanti, Fernando L.; Escamilla, Ignasi; Gomez, Luis A.; Miralles, Agusti; Soliva, Robert; Bartroli, Javier; Carceller, Elena; Merlos, Manuel; Garcia-Rafanell, Julian Journal of Medicinal Chemistry, 2003 , vol. 46, # 16 p. 3463 - 3475
  • Route2
    • 4-Methylsulphonylbenzoic acid Etoricoxib  Impurity|CS-0229443
      4052-30-6
    • ~%
    • 4-(Methylsulfonyl)benzohydrazide|CS-0303700
      53554-94-2

    References

    • Jiang, Bo; Huang, Xiaojing; Yao, Hequan; Jiang, Jieyun; Wu, Xiaoming; Jiang, Siyi; Wang, Qiujuan; Lu, Tao; Xu, Jinyi Organic and Biomolecular Chemistry, 2014 , vol. 12, # 13 p. 2114 - 2127
  • Route3

    References

    • Jiang, Bo; Huang, Xiaojing; Yao, Hequan; Jiang, Jieyun; Wu, Xiaoming; Jiang, Siyi; Wang, Qiujuan; Lu, Tao; Xu, Jinyi Organic and Biomolecular Chemistry, 2014 , vol. 12, # 13 p. 2114 - 2127

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   89.26
  • LogP   -0.3064
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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