3034-41-1

Basic information

• Product Name: Imidazole, 1-methyl-4-nitro-
• Synonyms: Imidazole, 1-methyl-4-nitro-;1-Methyl-4-nitro-1H-imidazole;1H-IMidazole,1-Methyl-4-nitro-;Metronidazole impurity A (EP)
• CAS NO: 3034-41-1
• Molecular Formula: C₄H₅N₃O₂
• Molecular Weight: 127.1
• EINECS: 3034-41-1
• Mol File: 3034-41-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: 133-134℃
• Boiling Point: 235.85°C (rough estimate)
• Flash Point: 152.7°C
• Appearance: /
• Density: 1.44
• Vapor Pressure: 0.000352mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 0.32±0.61(Predicted)
• CAS DataBase Reference: Imidazole, 1-methyl-4-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Imidazole, 1-methyl-4-nitro-(3034-41-1)
• EPA Substance Registry System: Imidazole, 1-methyl-4-nitro-(3034-41-1)

Safety Data

• Hazardous Substances Data: 3034-41-1(Hazardous Substances Data)

Usage

Uses

1-Methyl-4-nitroimidazole is a moiety of Azathioprine (A803350) and is predicted to have mutagenic potential.

InChI:InChI=1/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3

Upstream product

• 616-47-7 1-methyl-1H-imidazole 
• 186581-53-3 diazomethane 
• 60-29-7 diethyl ether 
• 3034-38-6 1H-4⁽⁵⁾-nitroimidazole 
• 77-78-1 dimethyl sulfate 
• 553-90-2 Dimethyl oxalate 
• 212248-40-3 1-Chloro-4-nitroimidazole 
• 74-88-4 methyl iodide 

Downstream Products

• 3034-43-3 1,3-dimethyl-4-nitroimidazolium iodide 
• 4531-54-8 1-methyl-4-nitro-1H-imidazol-5-amine 
• 107-97-1 sarcosine 
• 7664-41-7 ammonia 
• 74-89-5 methylamine 
• 1362909-87-2 (4-fluorophenyl)(4-(1-methyl-1H-imidazol-4-ylamino)quinazolin-2-yl)methanone 
• 7464-68-8 1,5-dimethyl-4-nitro-1H-imidazole 
• 20041-97-8 2-(1-methyl-4-nitro-1H-imidazol-5-yl)acetic acid 
• 89088-69-7 1-methyl-1H-imidazole-4-amine hydrochloride 
• 1208893-80-4 2,6-dichloro-N-(1-methyl-1H-imidazol-4-yl)pyrimidin-4-amine 
• 79578-98-6 1-methyl-1H-imidazol-4-amine 
• 116271-00-2 1-methyl-4-nitro-5-phenylsulfonylmethylimidazole 

Relevant articles and documents

Molten-state nitration of substituted imidazoles: New synthetic approaches to the novel melt-cast energetic material, 1-methyl-2,4,5-trinitroimidazole

Novel, one-step synthetic routes for the preparation of 1-methyl-2,4,5-trinitroimidazole (MTNI) are described. In addition, a new, molten-state nitration method for the synthesis of 1-methyl-2,4,5- trinitroimidazole is developed. Georg Thieme Verlag Stuttgart - New York.

Oxidative Alkylation of Azoles: V. Synthesis of 1-Chloro-4-nitroimidazole and Its Reaction with Methyl Iodide

Chlorination of 4-nitroimidazole in alkaline medium gave 1-chloro-4-nitroimidazole. The reaction of the latter with methyl iodide results in liberation of iodine and formation of 4-nitroimidazole, isomeric 1-methyl-4-nitro- and 1-methyl-5-nitroimidazoles, and 1,3-dimethyl-4-nitroimidazolium triiodide.

A NEW SIMPLE PROCEDURE FOR ALKYLATION OF NITROGEN HETEROCYCLES USING DIALKYL OXALATES AND ALKOXIDES.

A variety of nitrogen heterocycles are N-alkylated in high yields with dialkyl oxalates and potassium alkoxides in refluxing dimethylformamide.