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2-Nitroimidazole · CAS 527-73-1 · C3H3N3O2. UNII K8E96XL55D. LogP: 0.11; Ionization Efficiency: 2.42; Ionization Efficiency: 2.7.
| CAS Registry Number | 527-73-1 |
|---|---|
| PubChem CID | 10701 |
| Molecular formula | C3H3N3O2 |
| IUPAC name | 2-nitro-1H-imidazole |
| UNII (FDA) | K8E96XL55D |
| Molecular Weight | 113.08 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.022526347 |
| Monoisotopic Mass | 113.022526347 |
| Topological Polar Surface Area | 74.5 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| LogP | 0.11 |
|---|---|
| Ionization Efficiency | 2.42 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| Reported hazard statements | H301 (10.5%), H302 (89.5%), H315 (97.4%), H319 (97.4%), H335 (96.1%) |
|---|
H301 (10.5%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (89.5%): Harmful if swallowed [Warning Acute toxicity, oral]
2-Nitroimidazole; Azomycin; 527-73-1; 2-NITRO-1H-IMIDAZOLE; Amicin; 1H-Imidazole, 2-nitro-; K8E96XL55D; NSC-105831; DTXSID7060178; CHEBI:67135; RefChem:88725; DTXCID6041260; 208-425-5; nitroimidazole; Imidazole, 2-nitro-; MFCD00005185
CAS 527-73-1; molecular formula C3H3N3O2; molecular weight — g/mol.
2-Nitroimidazole, Azomycin, 527-73-1, 2-NITRO-1H-IMIDAZOLE, Amicin, 1H-Imidazole, 2-nitro-.
Hazard statements reported: H301, H302, H315, H319, H335.
LogP: 0.11; Ionization Efficiency: 2.42; Ionization Efficiency: 2.7; Ionization Efficiency: MeCN (80%).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.