1H-imidazole-5-sulfonic acid

Base Information

• Chemical Name: 1H-imidazole-5-sulfonic acid
• CAS No.: 60634-74-4
• Molecular Formula: C3H4N2O3S
• Molecular Weight: 148.142
• DSSTox Substance ID: DTXSID80524673
• Nikkaji Number: J1.621.080C
• Wikidata: Q82391706
• Mol file: 60634-74-4.mol

Synonyms:1H-imidazole-5-sulfonic acid;60634-74-4;SCHEMBL1416350;DTXSID80524673;Imidazol-sulfonsA currencyure-(4);AKOS006354216;EN300-242566

Chemical Property of 1H-imidazole-5-sulfonic acid

Chemical Property:

• PSA: 91.43000
• Density: 1.768±0.06 g/cm3(Predicted)
• LogP: 0.73720
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 147.99426317
• Heavy Atom Count: 9
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

1H-Imidazole-5-sulfonicacid 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)S(=O)(=O)O

Technology Process of 1H-imidazole-5-sulfonic acid

There total 4 articles about 1H-imidazole-5-sulfonic acid 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: 80.0%

1H-imidazole (288-32-4) → 4(5)-imidazolesulfonic acid (60634-74-4)

Guidance literature:

With sulfur trioxide; In 1,2-dichloro-ethane; for 1h; Heating;

Reference yield:

1-methyl-1H-imidazole (616-47-7) + water-ice → 4(5)-imidazolesulfonic acid (60634-74-4) + 1-methyl-1H-imidazole-4-sulfonyl chloride (137049-00-4)

Guidance literature:

With thionyl chloride; chlorosulphuric acid; In dichloromethane;

Reference yield:

1H-imidazole (288-32-4) → 1(3)H-imidazole-4-sulfonic acid (60634-74-4)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 160 ℃;

upstream raw materials:

1H-imidazole

chlorosulfonic acid

1-methyl-1H-imidazole

Downstream raw materials:

1H-imidazole

sulfuric acid

2,4,5-tribromo-1H-imidazole

oxalic acid

Refernces

• 1、 -. "Imidazole compounds, processes for their preparation, pharmaceuticals based on these compounds and some intermediates". . . Retrieved 2008/06/13.
• 2、 Bochkareva, T. P.,Passet, B. V.. "SULFONATION OF IMIDAZOLES". . p. 1935 - 1936. Retrieved 2007/10/02.