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经验公式(希尔记法):
C3H3N3O2
化学文摘社编号:
分子量:
113.07
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-224-7
Beilstein/REAXYS Number:
2815
MDL number:
产品名称
4-硝基咪唑, 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-硝基咪唑被用于研究以双(2,4,6-三氯苯基)草酸酯为试剂时,杂环化合物在过氧草酸酯化学发光反应中的催化效率。
General description
4-硝基咪唑是1-甲基-2,4,5-三硝基咪唑合成过程中的中间体。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
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
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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