Nitroimidazole
Properties
- Molecular formula
- C3H3N3O2
- Molar mass
- 113.08 g/mol
- Exact mass
- 113.0225 Da
- Melting point
- 303 °C (decomposes)
- logP
- 0.32Crippen estimate
- Polar surface area
- 71.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin48.3% of notifiers
- H315 Causes skin irritation51.7% of notifiers
- H319 Causes serious eye irritation51.7% of notifiers
- H332 Harmful if inhaled48.3% of notifiers
- H335 May cause respiratory irritation49.4% of notifiers
Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3034-38-6SMILES
O=[N+]([O-])c1cnc[nH]1InChIKey
VYDWQPKRHOGLPA-UHFFFAOYSA-NInChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 1H-Imidazole, 5-nitro-
- Imidazole, 4-nitro-
- 1H-Imidazole, 4-nitro-
- Imidazole, 4(or 5)-nitro-
- 5-Nitro-1H-imidazole
- 4-Nitroimidazole
- 5-Nitroimidazole
- 4(5)-Nitroimidazole
- 1H-5-Nitroimidazole
- 1H-4-Nitroimidazole
- NSC 50359
- 4-Nitro-1H-imidazole
Work with Nitroimidazole
Similar compounds
2,4-Dinitroimidazole5213-49-047 % similar
2-Chloro-4-nitroimidazole57531-37-044 % similar
2-Bromo-4-nitroimidazole65902-59-244 % similar
2-Methyl-5-nitroimidazole696-23-144 % similar
2-Methyl-5-nitroimidazole88054-22-244 % similar
3-Nitro-1,2,4-triazole24807-55-441 % similar
5-Methyl-4-nitroimidazole14003-66-840 % similar
4-Nitropyridine1122-61-839 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.