4,5,6-trichloro-1H-benzoimidazole

Base Information

• Chemical Name: 4,5,6-trichloro-1H-benzoimidazole
• CAS No.: 4812-43-5
• Molecular Formula: C7H3Cl3N2
• Molecular Weight: 221.4711
• NSC Number: 401567
• DSSTox Substance ID: DTXSID60322578
• Wikidata: Q82081222

Synonyms:4812-43-5;4,5,6-trichloro-1H-benzoimidazole;NSC 401567;NSC401567;SCHEMBL1192540;DTXSID60322578;NSC-401567

Chemical Property of 4,5,6-trichloro-1H-benzoimidazole

Chemical Property:

• Vapor Pressure: 4.27E-08mmHg at 25°C
• Boiling Point: 456.8°Cat760mmHg
• Flash Point: 262.5°C
• Density: 1.691g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 219.936181
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)N=CN2

Technology Process of 4,5,6-trichloro-1H-benzoimidazole

There total 3 articles about 4,5,6-trichloro-1H-benzoimidazole 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: 43.0%

2,3,4-trichloro-6-nitrobenzenamine (172215-92-8) + trimethyl orthoformate (149-73-5) → 4,5,6,-Trichlorbenzimidazol (4812-43-5)

Guidance literature:

2,3,4-trichloro-6-nitrobenzenamine; trimethyl orthoformate; With sodium dithionite; acetic acid; In N,N-dimethyl-formamide; at 100 ℃; for 15h;

With sodium hydrogencarbonate; In water; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

1,2,3-trichloro-4,5-dinitro-benzene (13554-16-0) → 4,5,6,-Trichlorbenzimidazol (4812-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tin; concentrated aqueous HCl

2: aqueous HCl

With hydrogenchloride; tin;

Reference yield:

formic acid (64-18-6) + 3,4,5-Trichloro-1,2-phenylenediamine (30064-28-9) → 4,5,6,-Trichlorbenzimidazol (4812-43-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

formic acid

3,4,5-Trichloro-1,2-phenylenediamine

1,2,3-trichloro-4,5-dinitro-benzene

2,3,4-trichloro-6-nitrobenzenamine

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