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CS-W001157 4
Total: USD 88.00

1-(Chloromethyl)-4-(trifluoromethylsulfanyl)benzene

  • CAS No. 74483-45-7

  • Cat. No. CS-0036255
  • Molecule weight226.65
  • Purity≥97%
  • MDL No.MFCD07368739

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

1-(Chloromethyl)-4-(trifluoromethylsulfanyl)benzene|CS-0036255

Structure of 74483-45-7

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General Information

  • CAS No. 74483-45-7
  • Cat. No. CS-0036255
  • Purity ≥97%
  • MDL No. MFCD07368739
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClF₃S
  • Molecular Weight 226.65
  • Synonym(s) 4-(Trifluoromethylthio)benzyl chloride
  • SMILES C1=C(C=CC(=C1)SC(F)(F)F)CCl

Description

1-(Chloromethyl)-4-(trifluoromethylsulfanyl)benzene features a chloromethyl group flanked by a strongly electron-withdrawing trifluoromethylsulfanyl substituent, enabling selective functionalization in late-stage diversification. This aryl chloride integrates readily into cross-coupling cascades and serves as a stable, moisture-tolerant building block for pharmaceutical intermediates and advanced materials synthesis under standard conditions.

Application

1-(Chloromethyl)-4-(trifluoromethylsulfanyl)benzene serves as a versatile building block in medicinal chemistry and materials synthesis, enabling efficient introduction of both chloromethyl and trifluoromethylthio functional groups. The molecule exhibits robust bench stability and facilitates nucleophilic substitution reactions, particularly with amines and thiols, under mild conditions. Its orthogonal reactivity profile supports modular synthesis of complex scaffolds, including heterocycles and bioactive compounds.

Synthesis

  • Route1

    References

    • Journal of medicinal chemistry, , vol. 13, # 5 p. 820 - 826

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
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   4.0373
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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