2-(4-chlorophenyl)-5-nitro-1H-benzimidazole

Base Information

• Chemical Name: 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole
• CAS No.: 1571-87-5
• Molecular Formula: C13H8ClN3O2
• Molecular Weight: 273.678
• NSC Number: 657185
• DSSTox Substance ID: DTXSID601279614
• Nikkaji Number: J2.695.119D
• ChEMBL ID: CHEMBL1407741
• Mol file: 1571-87-5.mol

Synonyms:1571-87-5;GABAA receptor agent 1;2-(4-chlorophenyl)-5-nitrobenzimidazole;2-(4-chlorophenyl)-5-nitro-1H-benzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole;2-(4-chlorophenyl)-6-nitro-1H-1,3-benzodiazole;CHEMBL1407741;NSC657185;MLS000702274;SCHEMBL2247663;DTXSID601279614;HMS2623J08;BDBM50553700;AKOS002677485;AKOS003384370;AKOS040733217;NSC-657185;10F-395S;NCI60_019806;SMR000226754;HY-133486;CS-0119338;2-(4-Chlorophenyl)-5-nitro-1H-benzoimidazole;E74513;AJ-077/33269004;SR-01000308835;SR-01000308835-1;2-((2-(4-CHLOROPHENYL)-6-NITRO-1H-1,3-BENZIMIDAZOL-1-YL)OXY)ACETIC ACID

Chemical Property of 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 273.0305042
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl

Technology Process of 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole

There total 11 articles about 2-(4-chlorophenyl)-5-nitro-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: 98.0%

4-chlorobenzaldehyde (104-88-1) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole (1571-87-5)

Guidance literature:

With sulfonated rice husk ash; at 80 ℃; for 0.333333h; Green chemistry;

DOI:10.1007/s11164-015-2075-5

Reference yield: 87.0%

4-Nitrophenylene-1,2-diamine (99-56-9) + para-chlorobenzoic acid (74-11-3) → 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole (1571-87-5)

Guidance literature:

Reference yield: 87.0%

→ 2-(4-chlorophenyl)-5-nitro-1H-benzimidazole (1571-87-5)

Guidance literature:

upstream raw materials:

4-chlorobenzaldehyde

4-Nitrophenylene-1,2-diamine

para-chlorobenzoic acid

N-pyridinium chloride

Downstream raw materials:

N-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-6-yl)quinolin-4-amine

2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-amine