3,4-Diiodo-1H-pyrazole

Base Information

• Chemical Name: 3,4-Diiodo-1H-pyrazole
• CAS No.: 6645-70-1
• Molecular Formula: C3H2 I2 N2
• Molecular Weight: 319.871
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90572029
• Wikidata: Q72467244
• Mol file: 6645-70-1.mol

Synonyms:3,4-Diiodo-1H-pyrazole;6645-70-1;3,4-DIIODOPYRAZOLE;4,5-diiodo-1H-pyrazole;4,5-diiodopyrazole;SCHEMBL10468027;DTXSID90572029;AKOS016011402;CS-0331435

Chemical Property of 3,4-Diiodo-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 387.418°C at 760 mmHg
• Flash Point: 188.104°C
• PSA: 28.68000
• Density: 3.042
• LogP: 1.61890
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 319.83074
• Heavy Atom Count: 7
• Complexity: 68

Purity/Quality:

98.00% ^*data from raw suppliers

3,4-Diiodo-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1I)I

Technology Process of 3,4-Diiodo-1H-pyrazole

There total 3 articles about 3,4-Diiodo-1H-pyrazole 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:

NH-pyrazole (288-13-1) → 4-iodopyrazole (3469-69-0) + 3,4-diiodo-1H-pyrazole (6645-70-1)

Guidance literature:

With iodine; n-butyltriphenylphosphonium peroxodisulfate; In water; acetonitrile; Reagent/catalyst; Reflux;

DOI:10.1134/S1070363216080259

Reference yield:

1,3,4-triiodo-1H-pyrazole → 3,4-diiodo-1H-pyrazole (6645-70-1)

Guidance literature:

With sulphurous acid;

Reference yield:

→ 3,4-diiodo-1H-pyrazole (6645-70-1)

Guidance literature:

4-Iod-pyrazol, wss. NH4OH, I2, NaI, W.;

upstream raw materials:

NH-pyrazole

Downstream raw materials:

3,4-dinitropyrazole

Refernces