4-(1h-Benzimidazol-2-yl)benzenesulfonic acid

Base Information

• Chemical Name: 4-(1h-Benzimidazol-2-yl)benzenesulfonic acid
• CAS No.: 50343-57-2
• Molecular Formula: C₁₃H₁₀N₂O₃S
• Molecular Weight: 274.3
• NSC Number: 103147
• DSSTox Substance ID: DTXSID20295597
• Wikidata: Q82035609
• Mol file: 50343-57-2.mol

Synonyms:4-(1h-benzimidazol-2-yl)benzenesulfonic acid;50343-57-2;4-(1H-Benzo[d]imidazol-2-yl)benzenesulfonic acid;NSC103147;SCHEMBL6517599;DTXSID20295597;AKOS024332906;NSC-103147

Chemical Property of 4-(1h-Benzimidazol-2-yl)benzenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.497g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 274.04121336
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O

Technology Process of 4-(1h-Benzimidazol-2-yl)benzenesulfonic acid

There total 1 articles about 4-(1h-Benzimidazol-2-yl)benzenesulfonic 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:

benzoimidazole (51-17-2,79351-71-6) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → 4-(1H-benzoimidazol-2-yl)benzenesulfonic acid (50343-57-2)

Guidance literature:

4-aminobenzene sulfonic acid; With hydrogenchloride; sodium nitrite; In water; at 0 - 10 ℃;

benzoimidazole; With sodium acetate; In water; at 5 - 20 ℃;

DOI:10.1016/j.ejmech.2010.09.065

Reference yield: 99.0%

4-(1H-benzoimidazol-2-yl)benzenesulfonic acid (50343-57-2) + 4-aminobenzoyl chloride (16106-38-0) → C20H15N3O4S (1261479-26-8)

Guidance literature:

In diethyl ether; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2010.09.065

Reference yield: 70.9%

4-(1H-benzoimidazol-2-yl)benzenesulfonic acid (50343-57-2) + 2-aminobenzoyl chloride (21563-73-5) → 4-[1-(2-aminobenzoyl)-1H-benzoimidazol-2-yl]benzenesulfonic acid (1261479-23-5)

Guidance literature:

In diethyl ether; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2010.09.065

upstream raw materials:

benzoimidazole

4-aminobenzene sulfonic acid

Downstream raw materials:

C₁₉H₁₃N₃O₄S

C₂₀H₁₄N₂O₅S

C₂₀H₁₄N₂O₆S

C₂₀H₁₃ClN₂O₄S

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