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CS-W001157 4
Total: USD 88.00
  • CAS No. 654-62-6

  • Cat. No. CS-W012009
  • Molecule weight319.28
  • Purity≥98%
  • MDL No.MFCD00197629

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

DTA|CS-W012009

Structure of 654-62-6

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General Information

  • CAS No. 654-62-6
  • Cat. No. CS-W012009
  • Purity ≥98%
  • MDL No. MFCD00197629
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈F₃N₃O₄S₂
  • Molecular Weight 319.28
  • Synonym(s) 2,4-Disulfamyl-5-trifluoromethylaniline
  • SMILES FC(F)(F)C1=CC(N)=C(S(N)(=O)=O)C=C1S(N)(=O)=O

Description

Useful in the pH range of 7.0-9.0. Has a pKa of 8.1 at 25C.

Synthesis

  • Route1

    References

    • Hennig; Moskalyk; Chatten; Chan Journal of Pharmaceutical Sciences, 1981 , vol. 70, # 3 p. 317 - 319
  • Route2
    • null|null
      1479-95-4
    • ~%
    • In-stock
      DTA|CS-W012009
      654-62-6

    References

    • Journal of the American Chemical Society, , vol. 82, p. 1132 - 1135
  • Route3
    • 2-Amino-4-(trifluoromethyl)benzene-1-sulfonic acid|CS-0219048
      1513-44-6
    • ~%
    • In-stock
      DTA|CS-W012009
      654-62-6

    References

    • Journal of Organic Chemistry, , vol. 25, p. 965 - 970

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   146.34
  • LogP   -0.4176
  • H_Acceptors   5
  • H_Donors   3
  • Rotatable_Bonds   2

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