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5-Methanesulfonyl-2-methylbenzene-1-sulfonyl chloride

  • CAS No. 2224-67-1

  • Cat. No. CS-0249199
  • Molecule weight268.74
  • Purity95+%
  • MDL No.None

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

5-Methanesulfonyl-2-methylbenzene-1-sulfonyl chloride|CS-0249199

Structure of 2224-67-1

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General Information

  • CAS No. 2224-67-1
  • Cat. No. CS-0249199
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClO₄S₂
  • Molecular Weight 268.74
  • Synonym(s) 5-Methylsulfonyl-2-methyl-benzolsulfonylchlorid
  • SMILES CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)Cl

Synthesis

  • Route1

    References

    • Kendall, Jackie D.; Giddens, Anna C.; Tsang, Kit Yee; Frederick, Raphael; Marshall, Elaine S.; Singh, Ripudaman; Lill, Claire L.; Lee, Woo-Jeong; Kolekar, Sharada; Chao, Mindy; Malik, Alisha; Yu, Shuqiao; Chaussade, Claire; Buchanan, Christina; Rewcastle, Gordon W.; Baguley, Bruce C.; Flanagan, Jack U.; Jamieson, Stephen M.F.; Denny, William A.; Shepherd, Peter R. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 1 p. 58 - 68

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H314-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P405-P501

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Computational Chemistry Data

  • TPSA   68.28
  • LogP   1.32602
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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