4-Nitroimidazole (CAS 3034-38-6) — formula C3H3N3O2, molecular weight 113.08; category organic chemicals.
| CAS Number | 3034-38-6 |
|---|---|
| Molecular Formula | C3H3N3O2 |
| Molecular Weight | 113.08 |
| LogP | -0.11 |
| Applications | General Manufacturing Information: 1H-Imidazole, 5-nitro-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 1H-Imidazole, 5-nitro-: ACTIVE.
4-Nitroimidazole is a carbon-based organic compound with CAS registry number 3034-38-6 and molecular formula C3H3N3O2 (molecular weight 113.08), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3034-38-6
Its molecular formula C3H3N3O2 comprises 3 C, 3 H, 3 N, 2 O atoms.
Also known as: 4-Nitroimidazole · 4-硝基咪唑
Category: organic chemicals
The CAS registry number of 4-Nitroimidazole is 3034-38-6.
Molecular formula C3H3N3O2, molecular weight 113.08.
It is also registered under: 4-Nitroimidazole, 4-硝基咪唑.
Recorded applications: General Manufacturing Information: 1H-Imidazole, 5-nitro-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4-Nitroimidazole (CAS 3034-38-6), compiled from public chemistry databases.
| 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 |
| LogP | -0.11 |
|---|---|
| Ionization Efficiency | 2.48 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
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
| 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 · CAS 3034-38-6 · C3H3N3O2. UNII Y8U32AZ5O7. LogP: -0.11; Ionization Efficiency: 2.48; Ionization Efficiency: 2.7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-硝基咪唑