| Identification | Back Directory | [Name]
4,5-diiodo-1-methyl-triazole | [CAS]
1248676-71-2 | [Synonyms]
4,5-diiodo-1-methyl-triazole
4,5-Diiodo-1-methyl-1H-1,2,3-triazole
1H-1,2,3-Triazole, 4,5-diiodo-1-methyl- | [Molecular Formula]
C3H3I2N3 | [MOL File]
1248676-71-2.mol | [Molecular Weight]
334.89 |
| Chemical Properties | Back Directory | [Melting point ]
186-188 °C | [Boiling point ]
344.4±52.0 °C(Predicted) | [density ]
3.14±0.1 g/cm3(Predicted) | [pka]
-2.70±0.10(Predicted) | [InChI]
InChI=1S/C3H3I2N3/c1-8-3(5)2(4)6-7-8/h1H3 | [InChIKey]
GYGVGFXHSWIJRC-UHFFFAOYSA-N | [SMILES]
N1(C)C(I)=C(I)N=N1 |
| Hazard Information | Back Directory | [Description]
The chemical formula of 4,5-diiodo-1-methyl-triazole is C3H3I2N3. It can be synthesized by alkylation of 4,5-diiodo-[1H]-1,2,3-triazole. It is a derivative of 1,2,3-triazole ring which is a moiety present in anti-allergic, antibacterial, antifungal, anti-virial, and analgesic drugs | [Uses]
4,5-diiodo-1-methyl-triazole is an organic reagent capable of synthesizing a wide range of chemicals as a raw material. For example, by refluxing in 100% nitric acid, nitration of 4,5-diiodo-1-methyl-triazole was successful in forming 1-Methyl-4-nitro-5-iodo-1,2,3-triazole. | [Preparation]
4,5-Diiodo-1,2,3-[1H]-triazole (14.6 mmol, 4.7 g) was
dissolved in DMF (5 mL) and potassium carbonate (23.15
mmol, 3.2g) was added. The mixture was cooled to -20 °C in an
ice-salt bath. Iodomethane (21.8 mmol, 1.36 mL) was added to
the cooled mixture and stirred for two hours. An off-white
precipitate was formed which was filtered and washed with
water. After purification, 4,5-diiodo-1-methyl-triazole can be obtained[1].
 | [References]
[1] Chand D, et al. Mono‐ and Diiodo‐1,2,3‐Triazoles and Their Mono Nitro
Derivatives. Dalton Transactions, 2016; 45: 9684-9688. |
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