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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(pentafluoro-lambda6-sulfanyl)aniline

  • CAS No. 165114-85-2

  • Cat. No. CS-0447784
  • Molecule weight253.62
  • Purity≥98%
  • MDL No.None

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

2-Chloro-4-(pentafluoro-lambda6-sulfanyl)aniline|CS-0447784

Structure of 165114-85-2

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General Information

  • CAS No. 165114-85-2
  • Cat. No. CS-0447784
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClF₅NS
  • Molecular Weight 253.62
  • Synonym(s) (4-Amino-3-chlorophenyl)pentafluorosulfur
  • SMILES C1=CC(=C(C=C1S(F)(F)(F)(F)F)Cl)N

Description

2-Chloro-4-(pentafluoro-lambda6-sulfanyl)aniline features a strongly electron-deficient sulfanyl group that enhances reactivity in cross-coupling processes. This bench-stable aryl building block integrates readily into complex molecular architectures, offering high functional group tolerance and robust performance under standard conditions.

Application

2-Chloro-4-(pentafluorothiophenyl)aniline serves as a versatile building block for fluorinated heterocycles and pharmaceutical intermediates. Its ortho-chloro and pentafluorothiophenyl groups enable palladium-catalyzed cross-coupling reactions, including Suzuki-Miyaura and Buchwald-Hartwig aminations, with excellent functional group tolerance. The molecule exhibits robust bench stability and facilitates efficient purification, making it well-suited for scalable synthesis in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   4.5796
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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