1-[2-(Ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1h-imidazole

Base Information

• Chemical Name: 1-[2-(Ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1h-imidazole
• CAS No.: 154475-33-9
• Molecular Formula: C₈H₁₂IN₃O₄S
• Molecular Weight: 373.171
• DSSTox Substance ID: DTXSID30379473
• Nikkaji Number: J575.598K
• Wikidata: Q82169303
• Mol file: 154475-33-9.mol

Synonyms:154475-33-9;1-[2-(ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1h-imidazole;1-(2-ethylsulfonylethyl)-5-iodo-2-methyl-4-nitroimidazole;1-(2-(Ethylsulfonyl)ethyl)-5-iodo-2-methyl-4-nitro-1H-imidazole;SCHEMBL8482509;DTXSID30379473;DAQQNSOGJTTXBA-UHFFFAOYSA-N;AKOS015912214;FT-0607095;1-[2-(ethanesulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1H-imidazole;1-[2-(Ethylsulfonyl)ethyl]-2-methyl-4-nitro-5-iodo-1H-imidazole;1H-Imidazole,1-[2-(ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-

Chemical Property of 1-[2-(Ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1h-imidazole

Chemical Property:

• Vapor Pressure: 6.5E-13mmHg at 25°C
• Boiling Point: 581.7°Cat760mmHg
• PKA: -0.97±0.60(Predicted)
• Flash Point: 305.6°C
• PSA: 106.16000
• Density: 1.96g/cm³
• LogP: 2.74300
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 372.95932
• Heavy Atom Count: 17
• Complexity: 377

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-[2-(ETHYLSULFONYL)ETHYL]-5-IODO-2-METHYL-4-NITRO-1H-IMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)CCN1C(=NC(=C1I)[N+](=O)[O-])C

Technology Process of 1-[2-(Ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1h-imidazole

There total 1 articles about 1-[2-(Ethylsulfonyl)ethyl]-5-iodo-2-methyl-4-nitro-1h-imidazole 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: 87.0%

1-<2-(ethylsulphonyl)ethyl>-2-methyl-4-nitro-1H-imidazole (25459-12-5) → 1-<2-(ethylsulfonyl)ethyl>-2-methyl-4-nitro-5-iodoimidazole (154475-33-9)

Guidance literature:

With nitric acid; acetic acid; potassium iodide; at 115 - 120 ℃; for 4h;

DOI:10.1080/00397919408011194

upstream raw materials:

1-<2-(ethylsulphonyl)ethyl>-2-methyl-4-nitro-1H-imidazole