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CS-W001157 4
Total: USD 88.00

2-(Methylsulfonyl)benzoic acid

  • CAS No. 33963-55-2

  • Cat. No. CS-W002528
  • Molecule weight200.21
  • Purity≥97%
  • MDL No.MFCD00216492

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

2-(Methylsulfonyl)benzoic acid|CS-W002528

Structure of 33963-55-2

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General Information

  • CAS No. 33963-55-2
  • Cat. No. CS-W002528
  • Purity ≥97%
  • MDL No. MFCD00216492
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₄S
  • Molecular Weight 200.21
  • Synonym(s) 2-methanesulfonyl-benzoic acid
  • SMILES OC(=O)c1ccccc1S(=O)(=O)C

Synthesis

  • Route1
    • 1-Methyl-2-(methylsulfanyl)benzene|CS-0309255
      14092-00-3
    • ~%
    • 2-(Methylsulfonyl)benzoic acid|CS-W002528
      33963-55-2

    References

    • Journal of the American Chemical Society, , vol. 79, p. 916
  • Route2

    References

    • Chemische Berichte, , vol. 59, p. 1078
  • Route3
    • 2-(Methylsulfinyl)benzoic acid|CS-0449421
      19093-34-6
    • ~%
    • 2-(Methylsulfonyl)benzoic acid|CS-W002528
      33963-55-2

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 282 - 285

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   0.7883
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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