842972-42-3

Basic information

• Product Name: 3-ETHYL-3H-IMIDAZOLE-4-CARBALDEHYDE
• Synonyms: CHEMBRDG-BB 4013830;ASINEX-REAG BAS 10152726;AKOS BB-8934;3-ETHYL-3H-IMIDAZOLE-4-CARBALDEHYDE;1-ETHYL-1H-IMIDAZOLE-5-CARBALDEHYDE;1-ethyl-1H-imidazole-5-carbaldehyde hydrochloride;1-ethyl-1H-imidazole-5-carbaldehyde(SALTDATA: FREE)
• CAS NO: 842972-42-3
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.14
• Mol File: 842972-42-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 299 °C at 760 mmHg
• Flash Point: 134.6 °C
• Appearance: /
• Density: 1.1 g/cm³
• Vapor Pressure: 0.00123mmHg at 25°C
• Refractive Index: 1.541
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3-ETHYL-3H-IMIDAZOLE-4-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ETHYL-3H-IMIDAZOLE-4-CARBALDEHYDE(842972-42-3)
• EPA Substance Registry System: 3-ETHYL-3H-IMIDAZOLE-4-CARBALDEHYDE(842972-42-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 842972-42-3(Hazardous Substances Data)

Usage

General Description

3-Ethyl-3H-imidazole-4-carbaldehyde, also known as ETHI, is a chemical compound with the molecular formula C6H7N3O. It is an aromatic aldehyde derivative that is commonly used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. ETHI is a yellow to orange crystalline solid with a melting point of 145-147°C. It is soluble in organic solvents such as methanol and ethanol, and it possesses strong odor characteristics. ETHI is primarily used as an intermediate in the production of fungicides, pesticides, and other biologically active compounds. It is also employed in the study of imidazole-based compounds for potential therapeutic applications. Although it has limited commercial availability, ETHI is an important reagent in the pharmaceutical and agrochemical industries.

InChI:InChI=1/C6H8N2O/c1-2-8-5-7-3-6(8)4-9/h3-5H,2H2,1H3

Upstream product

• 64-67-5 diethyl sulfate 
• 3034-50-2 5-imidazolecarboxaldehyde 
• 3034-50-2 4⁽⁵⁾formylimidazole 

Relevant articles and documents

Synthesis and study of CuII complex with nitroxide, a jumping crystal analog

We synthesized 1-ethylimidazolyl-substituted nitronyl nitroxides, i.e., 2-(1-ethylimidazol-4-yl)- (L4Et) and 2-(1-ethylimidazol-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxide-1-oxyl (L5Et). The stable radical L5Et is an ethyl analog of 2-(1-methylimidazol-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxide-1-oxyl (L5Me) described earlier, the reaction of which with Cu(hfac)2 (hfac is 1,1,1,5,5,5-hexafluoropentane-2,4-dionate) leads to the formation of the [Cu(hfac)2(L5Me)2] jumping crystals. The reaction of Cu(hfac)2 with L5Et with reagent ratios 1: 2 and 1: 1 yields heterospin complexes [Cu(hfac)2(L5Et)2] and [Cu(hfac)2L5Et]2, respectively. X-ray diffraction study of the mononuclear complex [Cu(hfac)2(L5Et)2] determined that the compound has a packing similar to that of jumping crystals studied earlier, with the only difference being that the O..O contacts between neigh- boring nitroxide groups were found to be 0.3—0.5 ? longer than in [Cu(hfac)2(L5Me)2]. As a result of the lengthening of these contacts, [Cu(hfac)2(L5Et)2] crystals lack chemomechanical activi- ty. We found that when cooling crystals of binuclear complex [Cu(hfac)2L5Et]2 below 50 K, the antiferromagnetic exchange between unpaired electrons of the >N—?O groups of neighboring molecules leads to the full spin-pairing of the nitroxides, with only the Cu2+ ions contributing to the residual paramagnetism of the compound.