Ethyl 2-(4-nitroimidazol-1-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-nitroimidazol-1-yl)acetate
• CAS No.: 59566-51-7
• Molecular Formula: C7H9N3O4
• Molecular Weight: 199.16400
• DSSTox Substance ID: DTXSID60350578
• Wikidata: Q82126604
• Mol file: 59566-51-7.mol

Synonyms:ethyl 2-(4-nitroimidazol-1-yl)acetate;59566-51-7;1H-Imidazole-1-acetic acid, 4-nitro-, ethyl ester;ST008460;SCHEMBL16246028;DTXSID60350578;WGFYNFMJQWDXRS-UHFFFAOYSA-N;AKOS001704717;ethyl 2-(4-nitro-1H-imidazol-1-yl)acetate;EU-0051341

Chemical Property of Ethyl 2-(4-nitroimidazol-1-yl)acetate

Chemical Property:

• Boiling Point: 390.8±22.0 °C(Predicted)
• PSA: 89.94000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 0.87760
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 199.05930578
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

4-nitro-1H-Imidazole-1-aceticacidethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=C(N=C1)[N+](=O)[O-]