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CS-W001157 4
Total: USD 88.00

Difluoromethylsulfanylbenzene

  • CAS No. 1535-67-7

  • Cat. No. CS-0060568
  • Molecule weight160.18
  • Purity≥97%
  • MDL No.None

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

Difluoromethylsulfanylbenzene|CS-0060568

Structure of 1535-67-7

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General Information

  • CAS No. 1535-67-7
  • Cat. No. CS-0060568
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₂S
  • Molecular Weight 160.18
  • Synonym(s) α,α-Difluorothioanisole
  • SMILES C1=CC=C(C=C1)SC(F)F

Description

Difluoromethylsulfanylbenzene features a uniquely electron-deficient sulfanyl group appended to an aromatic ring, enabling selective functionalization in cross-coupling reactions. This bench-stable arylthiol derivative facilitates the incorporation of fluorinated sulfur motifs into complex molecular architectures under mild conditions.

Application

Difluoromethylsulfanylbenzene serves as a versatile building block for fluorinated aromatic systems, enabling direct introduction of the difluoromethylthio (CF₂H-S) group—known for enhanced metabolic stability and lipophilicity in medicinal chemistry. The sulfanyl functionality facilitates transition metal-catalyzed cross-coupling reactions and acts as a latent electrophile in nucleophilic substitution processes. Its bench-stable nature and compatibility with common functional groups make it ideal for modular synthesis of complex fluorinated scaffolds.

Synthesis

  • Route1
    • null|null
      75-45-6
    • null|null
      108-98-5
    • ~82%
    • In-stock
      Difluoromethylsulfanylbenzene|CS-0060568
      1535-67-7

    References

    • Langlois, Bernard R. Journal of Fluorine Chemistry, 1988 , vol. 41, p. 247 - 262
  • Route2
    • ((Fluoromethyl)sulfinyl)benzene|CS-1186661
      65325-68-0
    • ~22%
    • In-stock
      Difluoromethylsulfanylbenzene|CS-0060568
      1535-67-7

    References

    • McCarthy, James R.; Peet, Norton P.; LeTourneau, Micheal E.; Inbasekaran, Muthiah Journal of the American Chemical Society, 1985 , vol. 107, # 3 p. 735 - 737
  • Route3
    • null|null
      75-71-8
    • In-stock
      Potassium benzenethiolate|CS-0662289
      3111-52-2
    • ~7%
    • null|null
      85554-53-6
    • In-stock
      Difluoromethylsulfanylbenzene|CS-0060568
      1535-67-7
    • null|null
      80351-59-3

    References

    • Wakselman, Claude; Tordeux, Marc Journal of the Chemical Society, Chemical Communications, 1984 , # 12 p. 793 - 794

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P302+P352-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.0013
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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