5-chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one

Base Information

• Chemical Name: 5-chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one
• CAS No.: 60713-78-2
• Molecular Formula: C₇H₄ClN₃O₃
• Molecular Weight: 213.58
• DSSTox Substance ID: DTXSID201228457
• Mol file: 60713-78-2.mol

Synonyms:60713-78-2;5-chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one;5-chloro-6-nitro-1,3-dihydro-2H-benzimidazol-2-one;5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one;C7H4ClN3O3;SCHEMBL1192728;LMGOHSUBTHHMHD-UHFFFAOYSA-N;DTXSID201228457;MFCD13704889;AKOS015998226;DS-18706;C75836;A924035;5-Chloro-6-nitro-1,3-dihydro-benzoimidazol-2-one;5-chloro-1,3-dihydro-6-nitro-2H-Benzimidazol-2-one;5-Chloro-6-nitro-1,3-dihydro-2H-benzimidazole-2-one

Chemical Property of 5-chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one

Chemical Property:

• Boiling Point: 234.1±33.0 °C(Predicted)
• PKA: 9.82±0.30(Predicted)
• Density: 1.631±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 212.9941187
• Heavy Atom Count: 14
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one

There total 3 articles about 5-chloro-6-nitro-1H-benzo[d]imidazol-2(3H)-one 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: 76.0%

4-nitro-5-chloro-1,2-phenylenediamine (67073-39-6) + 1,1'-carbonyldiimidazole (530-62-1) → 5-chloro-6-nitro-1H-benzo[]imidazol-2(3H)-one (60713-78-2)

Guidance literature:

In tetrahydrofuran; at 0 - 23 ℃;

Reference yield:

4-nitro-5-chloro-1,2-phenylenediamine (67073-39-6) → 5-chloro-6-nitro-1H-benzo[]imidazol-2(3H)-one (60713-78-2)

Guidance literature:

With urea; In methanol;

Reference yield:

5-chloro-1,3-dihydrobenzoimidazol-2-one (2034-23-3) → 5-chloro-6-nitro-1H-benzo[]imidazol-2(3H)-one (60713-78-2)

Guidance literature:

With nitric acid;

DOI:10.1039/jr9500001515

upstream raw materials:

5-chloro-1,3-dihydrobenzoimidazol-2-one

4-nitro-5-chloro-1,2-phenylenediamine

1,1'-carbonyldiimidazole