4-chloro-2-phenyl-1H-benzimidazole

Base Information

• Chemical Name: 4-chloro-2-phenyl-1H-benzimidazole
• CAS No.: 71635-98-8
• Molecular Formula: C13H9ClN2
• Molecular Weight: 228.681
• DSSTox Substance ID: DTXSID80356835
• Nikkaji Number: J1.105.416A
• Wikidata: Q82136434
• Mol file: 71635-98-8.mol

Synonyms:4-chloro-2-phenyl-1H-benzimidazole;71635-98-8;chlorophenyl benzo[d]imidazol;DTXSID80356835;7-chloro-2-phenyl-1H-benzimidazole;STL353594;7-Chloro-2-phenyl-1H-benzoimidazole;AKOS000299080;AKOS000635398;BB 0244545;AE-848/06186015;SR-01000389461;SR-01000389461-1

Chemical Property of 4-chloro-2-phenyl-1H-benzimidazole

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.0454260
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3Cl

Technology Process of 4-chloro-2-phenyl-1H-benzimidazole

There total 11 articles about 4-chloro-2-phenyl-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: 91.0%

2,3-diaminochlorobenzene (21745-41-5) + benzaldehyde (100-52-7) → 7-chloro-2-phenyl-1H-benzimidazole (71635-98-8)

Guidance literature:

With mesoporous titania-iron(III) oxide; In water; at 40 ℃; for 3h; Green chemistry;

DOI:10.1002/cctc.201500563

Reference yield: 89.0%

2,3-diaminochlorobenzene (21745-41-5) + benzaldehyde (100-52-7) → 4-chloro-2-phenyl-1H-benzo[d]imidazole (71635-98-8)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 ℃; for 3h;

Reference yield: 88.0%

→ 7-chloro-2-phenyl-1H-benzimidazole (71635-98-8)

Guidance literature:

With acetic acid; In neat (no solvent); at 25 ℃; for 0.166667h;

upstream raw materials:

2,3-diaminochlorobenzene

benzaldehyde

N₁-(3-chlorophenyl)-1-benzenecarboximidamide

2,2,2-Trifluoroacetophenone