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CS-W001157 4
Total: USD 88.00

4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole

  • CAS No. 918483-35-9

  • Cat. No. CS-W020465
  • Purity≥97%
  • MDL No.MFCD20327556

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

4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole|CS-W020465

Structure of 918483-35-9

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General Information

  • CAS No. 918483-35-9
  • Cat. No. CS-W020465
  • Purity ≥97%
  • MDL No. MFCD20327556
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄F₃IN₂
  • Molecular Weight 276.00
  • Synonym(s) 1H-PYRAZOLE, 4-IODO-1-(2,2,2-TRIFLUOROETHYL)-
  • SMILES FC(F)(F)Cn1cc(I)cn1

Description

4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole features a trifluoroethyl group that imparts enhanced metabolic stability and lipophilicity, while the iodine atom enables efficient late-stage functionalization via cross-coupling. This combination delivers a robust scaffold for medicinal chemistry campaigns targeting bioactive heterocycles.

Application

4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole serves as a versatile building block for the synthesis of bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions with high efficiency. The trifluoroethyl group enhances metabolic stability and modulates lipophilicity, while the iodopyrazole moiety provides excellent reactivity in Suzuki-Miyaura and Buchwald-Hartwig couplings. Bench-stable and readily purified by flash chromatography, it functions reliably in medicinal chemistry campaigns targeting CNS and oncology therapeutics.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   2.05
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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