2-Iodo-1H-benzoimidazole

Base Information

• Chemical Name: 2-Iodo-1H-benzoimidazole
• CAS No.: 27692-04-2
• Molecular Formula: C7H5 I N2
• Molecular Weight: 244.035
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80476426
• Wikidata: Q82307779
• Mol file: 27692-04-2.mol

Synonyms:2-IODO-1H-BENZOIMIDAZOLE;27692-04-2;2-IODO-1H-BENZO[D]IMIDAZOLE;2-iodo-1H-benzimidazole;2-IODO-1H-1,3-BENZODIAZOLE;2-iodoazaindole;2-IODOBENZIMIDAZOLE;SCHEMBL2312311;DTXSID80476426;CBA69204;MFCD04114571;AB18571;CS-0333381;FT-0714167;A819161

Chemical Property of 2-Iodo-1H-benzoimidazole

Chemical Property:

• Boiling Point: 369.1±25.0 °C(Predicted)
• PKA: 10.11±0.10(Predicted)
• PSA: 28.68000
• Density: 2.082±0.06 g/cm3(Predicted)
• LogP: 2.16750
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.94975
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98% ^*data from raw suppliers

2-Iodo-1H-benzoimidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)I

Technology Process of 2-Iodo-1H-benzoimidazole

There total 3 articles about 2-Iodo-1H-benzoimidazole 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: 75.0%

2-iodo-1-trityl-1H-benzimidazole (1418363-64-0) → 2-iodo-1H-benzo[d]imidazole (27692-04-2)

Guidance literature:

With hydrogenchloride; In methanol; for 3h; Reflux;

DOI:10.1055/s-0032-1316775 DOI:10.1055/s-0032-1316775

Reference yield:

benzoimidazole (51-17-2,79351-71-6) + iodine (7553-56-2,12190-71-5,8031-47-8) → 2-iodo-1H-benzo[d]imidazole (27692-04-2)

Guidance literature:

Reference yield:

→ 2-iodo-1H-benzo[d]imidazole (27692-04-2)

Guidance literature:

/BRN= 958321/, HBr, CH3COOH/1h gekocht/ H2O, NH4OH/ Extrahueren Ac.;

upstream raw materials:

benzoimidazole

iodine

2-iodo-1-trityl-1H-benzimidazole

Downstream raw materials:

1-benzyl-2-iodo-1H-benzo[d]imidazole

2-iodo-1-(2-phenylethyl)-1H-benzimidazole

2-iodo-1-(3-phenylpropyl)-1H-benzimidazole

1-benzylbenzimidazole

Refernces

• 1、 Oconnell, Joanne M.,Moriarty, Eoin,Aldabbagh, Fawaz. "Access to aromatic ring-fused benzimidazoles using photochemical substitutions of the benzimidazol-2-yl radical". . p. 3371 - 3377. Retrieved 2013/01/15.