Benzimidazole, 2,5-bis(trifluoromethyl)-

Base Information

• Chemical Name: Benzimidazole, 2,5-bis(trifluoromethyl)-
• CAS No.: 399-69-9
• Molecular Formula: C₉H₄F₆N₂
• Molecular Weight: 254.135
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50192944
• Nikkaji Number: J45.521K
• Wikidata: Q63392124
• Mol file: 399-69-9.mol

Synonyms:399-69-9;BENZIMIDAZOLE, 2,5-BIS(TRIFLUOROMETHYL)-;2,6-bis(trifluoromethyl)-1H-benzimidazole;2,5-Bis(trifluoromethyl)-1H-benzo[d]imidazole;2,5-Bis(trifluoromethyl)benzimidazole;BRN 0027277;2,5-Bis(trifluoromethyl)-1H-benzimidazole;4-23-00-01150 (Beilstein Handbook Reference);SCHEMBL5681855;SCHEMBL10694441;DTXSID50192944;AKOS003197327;2,5-bis(trifluoromethyl)-benzimidazole;LS-32647;A873518;Q63392124

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

Chemical Property:

• Vapor Pressure: 0.0116mmHg at 25°C
• Boiling Point: 270.1°Cat760mmHg
• Flash Point: 117.1°C
• PSA: 28.68000
• Density: 1.567g/cm³
• LogP: 3.60050
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 254.02786711
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

97% ^*data from raw suppliers

2,5-Bis(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=C1C(F)(F)F)NC(=N2)C(F)(F)F

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

There total 9 articles about Benzimidazole, 2,5-bis(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: 99.0%

trifluoroacetic acid (76-05-1) + 4-(trifluoromethyl)-1,2-phenylenediamine (368-71-8) → 2,5-bis(trifluoromethyl)-1H-benzo[d]imidazole (399-69-9)

Guidance literature:

at 70 ℃; for 16h;

DOI:10.1016/j.tetlet.2012.09.069

Reference yield: 77.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + 4-(trifluoromethyl)-1,2-phenylenediamine (368-71-8) → 2,5-bis(trifluoromethyl)-1H-benzo[d]imidazole (399-69-9)

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: 45.0%

4-trifluoromethyl-2-nitroaniline (400-98-6) + trifluoroacetic acid (76-05-1) → N-(2-amino-4-trifluoromethyl-phenyl)-2,2,2-trifluoro-acetamide + 2,5-bis(trifluoromethyl)-1H-benzo[d]imidazole (399-69-9)

Guidance literature:

With tin(ll) chloride; at 130 ℃; for 0.0833333h; microwave;

DOI:10.1016/j.tetlet.2005.07.130

upstream raw materials:

trifluoroacetic acid

4-(trifluoromethyl)-1,2-phenylenediamine

4-trifluoromethyl-2-nitroaniline

2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]ethanimidoyl chloride