141615
4-Nitroimidazole
97%
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About This Item
Empirical Formula (Hill Notation):
C3H3N3O2
CAS Number:
Molecular Weight:
113.07
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-224-7
Beilstein/REAXYS Number:
2815
MDL number:
Assay:
97%
Form:
powder
InChI key
VYDWQPKRHOGLPA-UHFFFAOYSA-N
InChI
1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
SMILES string
[O-][N+](=O)c1c[nH]cn1
assay
97%
form
powder
mp
303 °C (dec.) (lit.)
functional group
nitro
Quality Level
Related Categories
General description
4-Nitroimidazole is an intermediate during the synthesis of 1-methyl-2,4,5-trinitro imidazole.
Application
4-Nitroimidazole was used in a study to investigate the catalytic efficiency of heterocyclic compounds in the peroxyoxalate chemiluminescence reaction using bis(2,4,6-trichlorophenyl)oxalate as reagent.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
392.0 °F - closed cup
flash_point_c
200 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Heterocyclic compounds as catalysts in the peroxyoxalate chemiluminescence reaction of bis (2, 4, 6-trichlorophenyl) oxalate.
Jonsson T and Irgum K.
Analytica Chimica Acta, 361(3), 205-215 (1998)
Quantum-chemical studies on thermodynamic feasibility of 1-methyl-2,4,5-trinitroimidazole processes.
Pandurang M Jadhav et al.
Journal of molecular modeling, 19(8), 3027-3033 (2013-04-12)
1-Methyl-2,4,5-trinitro imidazole (MTNI) is a well-known melt cast explosive possessing good thermal stability and impact insensitivity. MTNI has been synthesized from multi-step nitration followed by methylation of imidazole exhibiting low yield. It is desirable to screen the process thermodynamically for
Soledad Fernández et al.
Nuclear medicine and biology, 40(2), 273-279 (2012-12-12)
Hypoxia imaging is an important field in radiopharmaceutical research since hypoxic cells are very resistant to radiation treatment and diffusional limitations restrict the efficacy of chemotherapy. Gallium-68 is a widely used radionuclide for positron emission tomography (PET) due to the
Carlos A Valdez et al.
Journal of medicinal chemistry, 52(13), 4038-4053 (2009-06-02)
Infections with the diarrheagenic pathogen, Giardia lamblia, are commonly treated with the 5-nitroimidazole (5-NI) metronidazole (Mz), and yet treatment failures and Mz resistance occur. Using a panel of new 2-ethenyl and 2-ethanyl 5-NI derivatives, we found that compounds with a
David Leitsch et al.
The Journal of antimicrobial chemotherapy, 66(8), 1756-1765 (2011-05-24)
The mechanism of action of, and resistance to, metronidazole in the anaerobic (or micro-aerotolerant) protozoan parasite Giardia lamblia has long been associated with the reduction of ferredoxin (Fd) by the enzyme pyruvate:ferredoxin oxidoreductase (PFOR) and the subsequent activation of metronidazole
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