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141615

4-Nitroimidazole

Name: 4-Nitroimidazole
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₃H₃N₃O₂

CAS Number:

3034-38-6

Molecular Weight:

113.07

UNSPSC Code:

12352005

NACRES:

NA.22

PubChem Substance ID:

24848505

EC Number:

221-224-7

Beilstein/REAXYS Number:

2815

MDL number:

MFCD00005196

Assay:

97%

Form:

powder

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Properties

Quality Level

200

assay

97%

form

powder

mp

303 °C (dec.) (lit.)

functional group

nitro

SMILES string

[O-][N+](=O)c1c[nH]cn1

InChI

1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)

InChI key

VYDWQPKRHOGLPA-UHFFFAOYSA-N

Description

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.

pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 - P501

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

Synthesis and biological characterisation of novel dithiocarbamate containing 5-nitroimidazole (99m)Tc-complexes as potential agents for targeting hypoxia.

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

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Global Trade Item Number

SKU	GTIN
141615-25G	04061838734099