6-fluoro-2-(trichloromethyl)-1H-benzimidazole

Base Information

• Chemical Name: 6-fluoro-2-(trichloromethyl)-1H-benzimidazole
• CAS No.: 673487-34-8
• Molecular Formula: C8H4Cl3FN2
• Molecular Weight: 253.49
• DSSTox Substance ID: DTXSID60469614
• Wikidata: Q82297403
• Mol file: 673487-34-8.mol

Synonyms:673487-34-8;6-fluoro-2-(trichloromethyl)-1H-benzimidazole;5-FLUORO-2-(TRICHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE;5-fluoro-2-(trichloromethyl)-1H-benzimidazole;SCHEMBL1835419;DTXSID60469614;JATYRDKBUCGUMW-UHFFFAOYSA-N;5-fluoro-2-(trichloromethyl)-benzimidazole;FT-0757280;A19049;6-Fluoro-2-(trichloromethyl)-1H-benzo[d]imidazole

Chemical Property of 6-fluoro-2-(trichloromethyl)-1H-benzimidazole

Chemical Property:

• PSA: 28.68000
• LogP: 3.52870
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 251.942409
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

5-FLUORO-2-(TRICHLOROMETHYL)-1H-1,3-BENZODIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)NC(=N2)C(Cl)(Cl)Cl

Technology Process of 6-fluoro-2-(trichloromethyl)-1H-benzimidazole

There total 4 articles about 6-fluoro-2-(trichloromethyl)-1H-benzimidazole 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: 75.0%

4-fluoro-1,2-phenylenediamine (367-31-7) + methyl 2,2,2-trichloroacetimidate (2533-69-9) → 6-fluoro-2-(trichloromethyl)-1H-benzimidazole (673487-34-8)

Guidance literature:

With acetic acid; at 0 - 20 ℃;

Reference yield: 60.0%

4-fluoro-1,2-phenylenediamine (367-31-7) + methyl 2,2,2-trichloroacetimidate (2533-69-9) → 5-fluoro-2-(trichloromethyl)-1H-benzo[d]imidazole (673487-34-8)

Guidance literature:

With acetic acid; at 20 ℃; for 1h;

DOI:10.1021/jm0502081

Reference yield: 60.0%

→ 5-fluoro-2-(trichloromethyl)-1H-benzo[d]imidazole (673487-34-8)

Guidance literature:

upstream raw materials:

4-fluoro-1,2-phenylenediamine

methyl 2,2,2-trichloroacetimidate

5-fluoro-2-nitroaniline

Downstream raw materials:

2-Cyano-5-fluor-benzimidazol

6-fluoro-1H-benzimidazole-2-carbonitrile

5-fluoro-1H-benzimidazole-2-carboxylic acid