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CS-W001157 4
Total: USD 88.00

4-Iodo-2-methyl-5-nitro-1H-imidazole

  • CAS No. 13369-83-0

  • Cat. No. CS-0199307
  • Purity≥98%
  • MDL No.None

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

4-Iodo-2-methyl-5-nitro-1H-imidazole|CS-0199307

Structure of 13369-83-0

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General Information

  • CAS No. 13369-83-0
  • Cat. No. CS-0199307
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄IN₃O₂
  • Molecular Weight 253.00
  • Synonym(s) 5-iodo-2-methyl-4-nitro-1H-imidazole
  • SMILES CC1=NC(=C(N1)[N+](=O)[O-])I

Description

4-Iodo-2-methyl-5-nitro-1H-imidazole features a sterically accessible imidazole core bearing iodine and nitro groups at electron-deficient positions, enabling direct functionalization in cross-coupling reactions. The methyl substituent enhances solubility and stability under standard conditions, while the para-nitro group facilitates subsequent derivatization. This compound serves as a robust scaffold for medicinal chemistry and materials synthesis.

Application

4-Iodo-2-methyl-5-nitro-1H-imidazole serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive iodide group. The nitro and methyl substituents provide orthogonal functional handles for further derivatization, while the imidazole core offers inherent stability and compatibility with standard reaction conditions. Its bench-stable nature and predictable reactivity make it well-suited for medicinal chemistry and process development workflows.

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   1.23092
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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