Benzimidazole, 5-fluoro-2-(trifluoromethyl)-

Base Information

• Chemical Name: Benzimidazole, 5-fluoro-2-(trifluoromethyl)-
• CAS No.: 3671-47-4
• Molecular Formula: C8H4F4N2
• Molecular Weight: 204.1244
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70190169
• Nikkaji Number: J3.613.831I
• Wikidata: Q83062458
• Mol file: 3671-47-4.mol

Synonyms:3671-47-4;6-Fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole;BENZIMIDAZOLE, 5-FLUORO-2-(TRIFLUOROMETHYL)-;6-fluoro-2-(trifluoromethyl)-1H-benzimidazole;5-Fluoro-2-(trifluoromethyl)benzimidazole;5-Fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole;5-fluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole;DTXSID70190169;ZZRMDPMUZKDLTO-UHFFFAOYSA-N;C8-H4-F4-N2;MFCD18070968;LS-32987;CS-0078988;J3.613.831I;2-(Trifluoromethyl)-5-fluoro-1H-benzoimidazole;A874298

Chemical Property of Benzimidazole, 5-fluoro-2-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.0133mmHg at 25°C
• Boiling Point: 267.7°Cat760mmHg
• Flash Point: 115.7°C
• PSA: 28.68000
• Density: 1.536g/cm³
• LogP: 2.72080
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 204.03106078
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99%, ^*data from raw suppliers

6-Fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole 95+% ^*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(F)(F)F

Technology Process of Benzimidazole, 5-fluoro-2-(trifluoromethyl)-

There total 3 articles about Benzimidazole, 5-fluoro-2-(trifluoromethyl)- 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: 95.0%

4-fluoro-1,2-phenylenediamine (367-31-7) + trifluoroacetic acid (76-05-1) → 5-fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole (3671-47-4)

Guidance literature:

for 120h; Heating;

Reference yield: 90.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + 4-fluoro-1,2-phenylenediamine (367-31-7) → 5-fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole (3671-47-4)

Guidance literature:

With iron(III) trifluoromethanesulfonate; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

DOI:10.1016/j.tetlet.2016.06.086

Reference yield:

2-nitro-4-fluoroaniline (364-78-3) → 5-fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole (3671-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂; Raney-Ni / ethanol / 25 °C

2: 93 percent / hydrochloric acid / Heating

With hydrogenchloride; hydrogen; nickel; In ethanol;

DOI:10.1016/j.ejmech.2005.09.001

upstream raw materials:

4-fluoro-1,2-phenylenediamine

trifluoroacetic acid

2-nitro-4-fluoroaniline

1,1,1,5,5,5-hexafluoroacetylacetone

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