1H-Benzimidazole-5-sulfonic acid

Base Information

• Chemical Name: 1H-Benzimidazole-5-sulfonic acid
• CAS No.: 27503-78-2
• Molecular Formula: C₇H₆N₂O₃S
• Molecular Weight: 198.202
• Hs Code.: 2933990090
• NSC Number: 519856
• DSSTox Substance ID: DTXSID30325839
• Wikidata: Q82086445
• Mol file: 27503-78-2.mol

Synonyms:1H-Benzimidazole-5-sulfonic acid;27503-78-2;1H-Benzo[d]imidazole-5-sulfonic acid;3H-benzimidazole-5-sulfonic acid;1H-1,3-benzodiazole-5-sulfonic acid;5-Benzimidazolesulfonic acid;benzimidazole-5-sulfonic acid;SCHEMBL571363;benzimidazoline-5-sulfonic acid;DTXSID30325839;1H-Benzimidazole-6-sulfonic acid;1H-Benzo[d]imidazole-5-sulfonicacid;MFCD06617940;NSC519856;1H-1,3-benzodiazole-6-sulfonic acid;AKOS001726564;NSC 519856;NSC-519856;LS-06927;CS-0308489;FT-0741412;EN300-122336;A913298;Z1198168975

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 91.43000
• Density: 1.681g/cm³
• LogP: 1.89040
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.00991323
• Heavy Atom Count: 13
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

1H-benzimidazole-5-sulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)O)NC=N2

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

There total 6 articles about 1H-Benzimidazole-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: 60.0%

benzoimidazole (51-17-2,79351-71-6) → Benzimidazol-5-sulfonsaeure (27503-78-2)

Guidance literature:

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

DOI:10.1007/BF00476538

Reference yield: 60.0%

benzoimidazole (51-17-2,79351-71-6) → 5(6)-benzimidazolesulfonic acid (27503-78-2)

Guidance literature:

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

Reference yield:

formic acid (64-18-6) + orthaminic acid (7474-78-4) → Benzimidazol-5-sulfonsaeure (27503-78-2)

Guidance literature:

With water;

upstream raw materials:

formic acid

orthaminic acid

benzoimidazole

sulfuric acid

Refernces

• 1、 Bochkareva, T. P.,Passet, B. V.. "SULFONATION OF IMIDAZOLES". . p. 1935 - 1936. Retrieved 2007/10/02.