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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)thiobenzamide

  • CAS No. 72505-21-6

  • Cat. No. CS-W008000
  • Purity≥98%
  • MDL No.MFCD00051806

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

4-(Trifluoromethyl)thiobenzamide|CS-W008000

Structure of 72505-21-6

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General Information

  • CAS No. 72505-21-6
  • Cat. No. CS-W008000
  • Purity ≥98%
  • MDL No. MFCD00051806
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NS
  • Molecular Weight 205.20
  • Synonym(s) 4-[(Trifluoromethyl)-thio]-benzamide
  • SMILES NC(=S)C1=CC=C(C=C1)C(F)(F)F

Synthesis

  • Route1

    References

    • Louvel, Julien; Guo, Dong; Agliardi, Marta; Mocking, Tamara A. M.; Kars, Roland; Pham, Tan Phat; Xia, Lizi; De Vries, Henk; Brussee, Johannes; Heitman, Laura H.; Ijzerman, Adriaan P. Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3213 - 3222
  • Route2

    References

    • GLAXO GROUP LIMITED Patent: WO2004/6924 A1, 2004 ; Location in patent: Page/Page column 26 ;
  • Route3
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      19172-47-5
    • In-stock
      4-(Trifluoromethyl)benzamide|CS-W015961
      1891-90-3
    • ~%
    • In-stock
      4-(Trifluoromethyl)thiobenzamide|CS-W008000
      72505-21-6

    References

    • US5342851 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.3396
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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