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CS-W001157 4
Total: USD 88.00

3-Iodo-1H-1,2,4-triazole

  • CAS No. 7411-20-3

  • Cat. No. CS-0171540
  • Purity≥97%
  • MDL No.None

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

3-Iodo-1H-1,2,4-triazole|CS-0171540

Structure of 7411-20-3

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General Information

  • CAS No. 7411-20-3
  • Cat. No. CS-0171540
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂H₂IN₃
  • Molecular Weight 194.96
  • Synonym(s) 5-iodo-1H-1,2,4-triazole
  • SMILES C1=NC(=NN1)I

Description

3-Iodo-1H-1,2,4-triazole features a triazole core functionalized with an iodine atom at the 3-position, enabling direct incorporation into cross-coupling reactions. This bench-stable, moisture-tolerant heterocycle serves as a key building block for bioactive molecules and advanced materials.

Application

3-Iodo-1H-1,2,4-triazole serves as a versatile building block in medicinal chemistry, enabling efficient palladium-catalyzed cross-coupling reactions. Its iodine substituent facilitates reliable C–C and C–N bond formation under standard conditions, while the triazole core provides metabolic stability and hydrogen-bonding capability. The compound exhibits excellent bench stability and ease of purification, making it well-suited for modular synthesis of heterocyclic scaffolds and bioactive molecules.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   0.4093
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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