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CS-W001157 4
Total: USD 88.00

4-(Ethanesulfonyl)benzoic acid

  • CAS No. 21571-66-4

  • Cat. No. CS-0252220
  • Molecule weight214.24
  • Purity≥95%
  • MDL No.None

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

4-(Ethanesulfonyl)benzoic acid|CS-0252220

Structure of 21571-66-4

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General Information

  • CAS No. 21571-66-4
  • Cat. No. CS-0252220
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₄S
  • Molecular Weight 214.24
  • Synonym(s) 4-ethylsulfonylbenzoic Acid
  • SMILES O=C(O)C1=CC=C(S(=O)(CC)=O)C=C1

Synthesis

  • Route1

    References

    • Wyeth Patent: US2006/19965 A1, 2006 ; Location in patent: Page/Page column 77 ; US 20060019965 A1
  • Route2

    References

    • Fusco et al. Annali di Chimica (Rome, Italy), 1952 , vol. 42, p. 94,101
  • Route3
    • 4-(Ethylthio)Benzaldehyde|CS-0741785
      84211-94-9
    • ~%
    • 4-(Ethanesulfonyl)benzoic acid|CS-0252220
      21571-66-4

    References

    • Fusco; Trave Annali di Chimica (Rome, Italy), 1951 , vol. 41, p. 139,143, 146

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   71.44
  • LogP   1.1784
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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