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CS-W001157 4
Total: USD 88.00

(3-Bromophenyl)(trifluoromethyl)sulfane

  • CAS No. 2252-45-1

  • Cat. No. CS-W021087
  • Purity≥97%
  • MDL No.None

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

(3-Bromophenyl)(trifluoromethyl)sulfane|CS-W021087

Structure of 2252-45-1

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General Information

  • CAS No. 2252-45-1
  • Cat. No. CS-W021087
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrF₃S
  • Molecular Weight 257.07
  • Synonym(s) 3-(Trifluoromethylthio)bromobenzene
  • SMILES FC(SC1=CC=CC(Br)=C1)(F)F

Description

(3-Bromophenyl)(trifluoromethyl)sulfane features a brominated phenyl ring coupled to a trifluoromethylthio group, delivering enhanced lipophilicity and metabolic stability. This sulfane moiety enables direct incorporation into complex molecular architectures via cross-coupling reactions. The compound exhibits robust bench stability and compatibility with palladium-catalyzed transformations under standard conditions.

Application

(3-Bromophenyl)(trifluoromethyl)sulfane serves as a versatile building block in cross-coupling chemistry, enabling efficient C–S bond formation and facilitating the introduction of trifluoromethylthio groups into aromatic scaffolds. Its bromo substituent supports palladium-catalyzed coupling reactions, while the sulfane functionality offers enhanced stability and orthogonal reactivity. The molecule exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Kieltsch, Iris; Eisenberger, Patrick; Stanek, Kyrill; Togni, Antonio Chimia, 2008 , vol. 62, # 4 p. 260 - 263
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      90942-22-6
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    • In-stock
      (3-Bromophenyl)(trifluoromethyl)sulfane|CS-W021087
      2252-45-1

    References

    • Journal of Organic Chemistry, , vol. 25, p. 60 - 65
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 25, p. 60 - 65

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.061
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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