2-Chloro-5,6-dinitrobenzimidazole

Base Information

• Chemical Name: 2-Chloro-5,6-dinitrobenzimidazole
• CAS No.: 1849-05-4
• Molecular Formula: C7H3ClN4O4
• Molecular Weight: 242.5761
• NSC Number: 107510
• DSSTox Substance ID: DTXSID00171668
• Wikidata: Q83041788
• ChEMBL ID: CHEMBL165943
• Mol file: 1849-05-4.mol

Synonyms:2-Chloro-5,6-dinitrobenzimidazole;1849-05-4;2-Chloro-5,6-dinitro-1H-benzimidazole;NSC107510;NSC 107510;5,6-dinitro-2-chlorobenzimidazole;CHEMBL165943;SCHEMBL4364726;DTXSID00171668;Benzimidazole, 2-chloro-5,6-dinitro-;NSC-107510;2-Chloro-5,6-dinitro-1H-benzimidazole #;1,3-Benzodiazole, 2-chloro-5,6-dinitro-;AN-584/43408168

Chemical Property of 2-Chloro-5,6-dinitrobenzimidazole

Chemical Property:

• Vapor Pressure: 2.76E-12mmHg at 25°C
• Boiling Point: 553.3°Cat760mmHg
• Flash Point: 288.4°C
• PSA: 120.32000
• Density: 1.855g/cm³
• LogP: 3.07910
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 241.9842823
• Heavy Atom Count: 16
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N=C(N2)Cl

Technology Process of 2-Chloro-5,6-dinitrobenzimidazole

There total 4 articles about 2-Chloro-5,6-dinitrobenzimidazole 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: 73.0%

2-chloro-1H-benzoimidazole (4857-06-1) → 5,6-dinitro-2-chlorobenzimidazole (1849-05-4)

Guidance literature:

With sulfuric acid; nitric acid; for 3h; Heating;

DOI:10.1007/BF00766366

Reference yield: 64.7%

5,6-dinitro-2,3-dihydro-1H-benzimidazol-2-one (3705-86-0) → 5,6-dinitro-2-chlorobenzimidazole (1849-05-4)

Guidance literature:

With trichlorophosphate;

Reference yield:

2-chloro-5-nitro-1H-benzo[d]imidazole (5955-72-6) → 5,6-dinitro-2-chlorobenzimidazole (1849-05-4)

Guidance literature:

With sulfuric acid; nitric acid; for 3h; Heating;

DOI:10.1007/BF00766366

upstream raw materials:

2-chloro-1H-benzoimidazole

2-chloro-5-nitro-1H-benzo[d]imidazole

5,6-dinitro-2,3-dihydro-1H-benzimidazol-2-one

Downstream raw materials:

2-Chloro-5,6-dinitro-1-(2,3,5-tri-O-benzyl-β-D-ribofuranosyl)benzimidazole

1-methyl-2-benzylamino-5,6-dinitrobenzimidazole