5-Bromo-2-(trifluoromethyl)-1H-benzimidazole

Base Information

• Chemical Name: 5-Bromo-2-(trifluoromethyl)-1H-benzimidazole
• CAS No.: 3671-60-1
• Molecular Formula: C8H4BrF3N2
• Molecular Weight: 265.03
• Hs Code.: 2933990090
• European Community (EC) Number: 692-244-5
• DSSTox Substance ID: DTXSID80190170
• Nikkaji Number: J582.059F
• Wikidata: Q83062459
• ChEMBL ID: CHEMBL228199
• Mol file: 3671-60-1.mol

Synonyms:5-Bromo-2-(trifluoromethyl)-1H-benzimidazole;3671-60-1;6-Bromo-2-trifluoromethyl-1H-benzoimidazole;5-Bromo-2-(trifluoromethyl)benzimidazole;5-bromo-2-(trifluoromethyl)-1H-benzo[d]imidazole;6-bromo-2-(trifluoromethyl)-1H-benzimidazole;BENZIMIDAZOLE, 5-BROMO-2-(TRIFLUOROMETHYL)-;C8H4BrF3N2;6-bromo-2-(trifluoromethyl)-1H-1,3-benzodiazole;CHEMBL228199;SCHEMBL1284461;SCHEMBL16042060;DTXSID80190170;MFCD00460102;AKOS014051600;AKOS015834702;AS-5251;CS-10348;LS-32672;TS-03484;CS-0078987;FT-0682752;D74000;6-bromo-2-(trifluoromethyl)-1H-benzo[d]imidazole;A874297

Chemical Property of 5-Bromo-2-(trifluoromethyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 0.000496mmHg at 25°C
• Boiling Point: 323.4°Cat760mmHg
• Flash Point: 149.4°C
• PSA: 28.68000
• Density: 1.83g/cm³
• LogP: 3.34420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 263.95100
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-(trifluoromethyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=N2)C(F)(F)F

Technology Process of 5-Bromo-2-(trifluoromethyl)-1H-benzimidazole

There total 2 articles about 5-Bromo-2-(trifluoromethyl)-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: 94.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-Brom-2-trifluormethyl-benzimidazol (3671-60-1)

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:

→ 5-Brom-2-trifluormethyl-benzimidazol (3671-60-1)

Guidance literature:

4-Brom-o-phenylendiamin, Trifluoressigsaeure;

Reference yield:

1-(Bromomethyl)-3-fluorobenzene (456-41-7) + 6-bromo-2-(trifluoromethyl)-1H-benzo[d]imidazole (3671-60-1) → 6-bromo-1-(3-fluorobenzyl)-2-(trifluoromethyl)-1H-benzo[d]imidazole

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 100 ℃; for 2h;

upstream raw materials:

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

4-Bromo-benzene-1,2-diamine

Refernces