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4-Nitroimidazole · CAS 3034-38-6 · C3H3N3O2. UNII Y8U32AZ5O7. LogP: -0.11; Ionization Efficiency: 2.48; Ionization Efficiency: 2.7.
| CAS Registry Number | 3034-38-6 |
|---|---|
| PubChem CID | 18208 |
| Molecular formula | C3H3N3O2 |
| IUPAC name | 5-nitro-1H-imidazole |
| UNII (FDA) | Y8U32AZ5O7 |
| Molecular Weight | 113.08 |
|---|---|
| XLogP3 | 0 |
| 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 | 2.48 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| Reported hazard statements | H302 (100%), H312 (48.3%), H315 (51.7%), H319 (51.7%), H332 (48.3%), H335 (49.4%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (48.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
4-Nitroimidazole; 3034-38-6; 5-Nitro-1H-imidazole; 5-Nitroimidazole; 1H-Imidazole, 4-nitro-; 1H-Imidazole, 5-nitro-; Imidazole, 4-nitro-; Y8U32AZ5O7; NSC-50359; DTXSID9062803; CHEBI:64635; RefChem:525957; DTXCID0038174; 221-224-7; 4-NITRO-1H-IMIDAZOLE; 100214-79-7
CAS 3034-38-6; molecular formula C3H3N3O2; molecular weight — g/mol.
4-Nitroimidazole, 3034-38-6, 5-Nitro-1H-imidazole, 5-Nitroimidazole, 1H-Imidazole, 4-nitro-, 1H-Imidazole, 5-nitro-.
Hazard statements reported: H302, H312, H315, H319, H332.
LogP: -0.11; Ionization Efficiency: 2.48; 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.