1H-Benzimidazole-2-sulfonic acid

Base Information

• Chemical Name: 1H-Benzimidazole-2-sulfonic acid
• CAS No.: 40828-54-4
• Molecular Formula: C7H6N2O3S
• Molecular Weight: 198.202
• Hs Code.: 2933990090
• European Community (EC) Number: 626-779-2
• DSSTox Substance ID: DTXSID10364463
• Nikkaji Number: J3.031.651G
• ChEMBL ID: CHEMBL1451077
• Mol file: 40828-54-4.mol

Synonyms:1H-Benzimidazole-2-sulfonic acid;40828-54-4;1H-benzo[d]imidazole-2-sulfonic acid;1H-Benzoimidazole-2-sulfonic acid;BENZIMIDAZOLE-2-SULFONIC ACID;MFCD00100972;1H-1,3-benzodiazole-2-sulfonic acid;1H-Benzimidazolesulfonic acid;1H-Benzimidazole-2-sulfonicacid;SDCCGMLS-0065447.P001;2-benzimidazolesulfonic acid;Cambridge id 5140822;MLS000779177;SCHEMBL935551;CHEMBL1451077;DTXSID10364463;HMS2744B19;1H-benzo[d]imidazole-2-sulfonicacid;GEO-00263;STK500737;AKOS000266779;CCG-102426;CS-W010546;1H-Benzimidazole-2-sulfonic acid, 98%;SMR000415871;TS-00324;BB 0219602;FT-0607871;EN300-36560;AB00658806-02;A923351;W-200360;F0347-0827

Chemical Property of 1H-Benzimidazole-2-sulfonic acid

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Melting Point: 116-119 °C(lit.)
• Refractive Index: 1.716
• PKA: -1.47±0.40(Predicted)
• PSA: 91.43000
• Density: 1.681 g/cm³
• LogP: 1.89040
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• 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:

98%,99%, ^*data from raw suppliers

Benzimidazole2-SulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O
• Uses: Benzimidazole 2-Sulfonic Acid is a versatile reactant used in the preparation of bis(benzimidazol-2-yl)amines with antitrichinellosis activity.

Technology Process of 1H-Benzimidazole-2-sulfonic acid

There total 6 articles about 1H-Benzimidazole-2-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: 71.0%

2-phenyl-2,3-dihydro-4H- [1,3]thiazino[3,2-a]benzimidazol-4-one (326007-50-5) → 1H-benzimidazole-2-sulfonic acid (40828-54-4) + (E)-3-phenylacrylic acid (140-10-3)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 20 ℃;

DOI:10.1007/s10593-006-0099-x

Reference yield: 67.0%

2-(p-methoxyphenyl)-4H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-4-one → 1H-benzimidazole-2-sulfonic acid (40828-54-4) + (E)-3-(4-methoxyphenyl)acrylic acid (943-89-5)

Guidance literature:

With dihydrogen peroxide; acetic acid; for 24h;

DOI:10.1007/s11178-005-0130-1

Reference yield: 60.0%

2-phenyl-4H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-4-one (74376-23-1) → 1H-benzimidazole-2-sulfonic acid (40828-54-4) + (E)-3-phenylacrylic acid (140-10-3)

Guidance literature:

With dihydrogen peroxide; acetic acid; for 24h;

DOI:10.1007/s11178-005-0130-1

upstream raw materials:

2,3-dihydrobenzimidazol-2-thione

1-aminobenzimidazole-2-sulfonic acid

2-phenyl-4H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-4-one

2-phenyl-2,3-dihydro-4H- [1,3]thiazino[3,2-a]benzimidazol-4-one

Downstream raw materials:

2-benzylbenzimidazole

1-ethyl-1H-benzimidazole-2-sulfonic acid

2-(1-adamantyl)-1H-benzimidazole

(1H-benzoimidazol-2-yl)phenylamine

Refernces

• 1、 Britsun,Esipenko,Chernega,Lozinskii. "Synthesis and transformations of 5-substituted 2-aryl-7H-[1,2,4]triazolo[3, 2-b][1,3]thiazin-7-ones and 2-aryl-2,3-dihydro-4H-[1,3]thiazino[3,2-a] benzimidazol-4-ones". . p. 108 - 113. Retrieved 2007/10/03.
• 2、 Grivas,Ronne. "Facile desulfurization of cyclic thioureas by hydrogen peroxide in acetic acid.". . p. 225 - 229. Retrieved 2007/10/02.