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

Base Information

• Chemical Name: 3-iodo-1H-1,2,4-triazole
• CAS No.: 7411-20-3
• Molecular Formula: C2H2IN3
• Molecular Weight: 194.962
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10378181
• Wikidata: Q72484695
• Mol file: 7411-20-3.mol

Synonyms:3-iodo-1H-1,2,4-triazole;7411-20-3;5-iodo-1H-1,2,4-triazole;3-iodo-4H-1,2,4-triazole;3-Iodo-1h-[1,2,4]triazole;1H-1,2,4-Triazole,5-iodo-;3-iodo1H-1,2,4-Triazole;SCHEMBL2739959;SCHEMBL9299549;DTXSID10378181;1H-1,2,4-Triazole, 3-iodo;BCP27541;BBL012756;MFCD00746349;STK751089;AKOS005145958;AKOS016347616;AS-49433;CS-0171540;FT-0651465;EN300-71382;I10222

Chemical Property of 3-iodo-1H-1,2,4-triazole

Chemical Property:

• Boiling Point: 319.6 °C at 760 mmHg
• PKA: 8.08±0.20(Predicted)
• Flash Point: 147.1 °C
• PSA: 41.57000
• Density: 2.555 g/cm³
• LogP: 0.40930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 194.92934
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

97% ^*data from raw suppliers

3-iodo-1h-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=N1)I

Technology Process of 3-iodo-1H-1,2,4-triazole

There total 3 articles about 3-iodo-1H-1,2,4-triazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 15.0%

1,2,4-Triazole (288-88-0) → 3(5)-Iod-1,2,4-triazol (7411-20-3)

Guidance literature:

With sodium hydroxide; Rodapon N 50; iodine; In water; for 15h; Heating;

Reference yield:

→ 3(5)-Iod-1,2,4-triazol (7411-20-3)

Guidance literature:

With hydrogen iodide;

Reference yield:

→ 3(5)-Iod-1,2,4-triazol (7411-20-3)

Guidance literature:

N-Iod-1,2,4-triazol, 3,5-Dimethyl-1,2,4-triazol;

upstream raw materials:

1,2,4-Triazole

Downstream raw materials:

1,2,4-Triazole