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:
Product Name
4-Nitroimidazole, 97%
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
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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.
General description
4-Nitroimidazole is an intermediate during the synthesis of 1-methyl-2,4,5-trinitro imidazole.
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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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
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)
Javier Giglio et al.
Nuclear medicine and biology, 39(5), 679-686 (2012-04-27)
The evaluation of oxygenation status of solid tumors is an important field of radiopharmaceutical research. With the aim to develop new potential 99mTc-radiopharmaceuticals for imaging hypoxia, we have synthesized two novel isocyanide derivatives of metronidazole, which has demonstrated high affinity
Javier Giglio et al.
Bioorganic & medicinal chemistry letters, 21(1), 394-397 (2010-11-23)
With the aim to develop new potential (99m)Tc-radiopharmaceuticals for imaging hypoxia based on the formation of Tc-nitrido complexes, two novel dithiocarbamate containing metronidazole derivatives (L1 and L2) have been prepared and characterised. The synthesis of L1 and L2 was achieved
Soledad Fernández et al.
Bioorganic & medicinal chemistry, 20(13), 4040-4048 (2012-06-05)
An important issue in the development of metal-based radiopharmaceuticals is the selection of the labelling strategy in order to couple the metal to the pharmacophore without losing the biological activity. With the aim to evaluate the correlation between ligand denticity
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