1H-Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-

Base Information

• Chemical Name: 1H-Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-
• CAS No.: 2338-25-2
• Molecular Formula: C8H3 Cl2 F3 N2
• Molecular Weight: 255.026
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10177934
• Nikkaji Number: J54.514G
• Wikidata: Q83048275
• ChEMBL ID: CHEMBL56234
• Mol file: 2338-25-2.mol

Synonyms:2338-25-2;5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole;1H-Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-;5,6-Dichloro-2-(trifluoromethyl)-1H-benzo[d]imidazole;NC 2983;5,6-Dichloro-2-trifluoromethylbenzimidazole;BRN 0616085;C8H3Cl2F3N2;Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-;5,6-dichloro-2-(trifluoromethyl)-1H-1,3-benzodiazole;CHEMBL56234;SCHEMBL5987289;DTXSID10177934;CAA33825;MFCD01658509;AKOS016352795;AS-9417;LS-32840;5,6-dichloro-2-(trifluoromethyl) benzimidazole;2-(Trifluoromethyl)-5,6-dichloro-1H-benzimidazole;5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole #

Chemical Property of 1H-Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.000201mmHg at 25°C
• Melting Point: 239-241 °C
• Boiling Point: 337.8°C at 760 mmHg
• PKA: 7.69±0.10(Predicted)
• Flash Point: 158.1°C
• PSA: 28.68000
• Density: 1.672g/cm³
• LogP: 3.88850
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 253.9625380
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99%, ^*data from raw suppliers

5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)N=C(N2)C(F)(F)F

Technology Process of 1H-Benzimidazole, 5,6-dichloro-2-(trifluoromethyl)-

There total 4 articles about 1H-Benzimidazole, 5,6-dichloro-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: 85.0%

4,5-Dichloro-1,2-phenylenediamine (5348-42-5) + trifluoroacetic acid (76-05-1) → 5,6-dichloro-2-trifluoromethyl-1H-benzimidazole (2338-25-2)

Guidance literature:

With hydrogenchloride; Reflux;

DOI:10.3390/molecules26113163

Reference yield:

4,5-Dichloro-1,2-phenylenediamine (5348-42-5) → 5,6-dichloro-2-trifluoromethyl-1H-benzimidazole (2338-25-2)

Guidance literature:

With trifluoroacetic acid; In water; ethyl acetate;

Reference yield:

4,5-dichloro-2-nitroaniline (6641-64-1) → 5,6-dichloro-2-trifluoromethyl-1H-benzimidazole (2338-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney Ni / tetrahydrofuran

2: H₂O / Heating

With hydrogen; nickel; In tetrahydrofuran; water;

DOI:10.1016/S0960-894X(00)00619-3

upstream raw materials:

4,5-Dichloro-1,2-phenylenediamine

trifluoroacetic acid

4,5-dichloro-2-nitroaniline

Downstream raw materials:

4,7-Dibromo-5,6-dichloro-2-trifluoromethylbenzimidazole

6-chloro-5-(3,4-dichlorophenyl)-2-trifluoromethylbenzimidazole

C₁₅H₉Cl₂F₃N₂

C₁₆H₈Cl₂F₆N₂

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