437298

Imidazole-d₄

98 atom % D

• Empirical Formula (Hill Notation): C₃D₄N₂
• CAS Number: 6923-01-9
• Molecular Weight: 72.10
• MDL number: MFCD00082554
• UNSPSC Code: 12142201
• PubChem Substance ID: 24867362
• NACRES: NA.11

Properties

• isotopic purity: 98 atom % D
• Assay: 99% (CP)
• form: powder
• technique(s): NMR: suitable
• bp: 256 °C (lit.)
• mp: 89-91 °C (lit.)
• mass shift: M+4
• SMILES string: [2H]c1nc([2H])n([2H])c1[2H]
• InChI: 1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
• InChI key: RAXXELZNTBOGNW-MSWVZFBTSA-N

Description

General description

Imidazole-d₄ is a deuterated NMR solvent useful in NMR-based research and analyses. Far-infrared spectrum of imidazole-d₄ in the range of 300-33-cm^-1 has been investigated.

Application

Imidazole-d₄ may be used in the synthesis of 1-ethylimidazole-d₈ by reacting with ethyl iodide-d₅ and 1-butylimidazole-d₁₂ by reacting with butyl iodide-d₉. These compounds form the precursors for the preparation of perdeuterated cellulose solvents, 1-ethyl-3-methylimidazolium acetate (EMIM-OAc-d₁₄) and 1-butyl-3-methylimidazolium acetate (BMIM-OAc-d₁₈).

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Safety Information

• Pictograms: GHS08,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302,H314,H360D
• Precautionary Statements: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 1B - Skin Corr. 1B
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 2
• Flash Point(F): 293.0 °F - closed cup
• Flash Point(C): 145.00 °C - closed cup