Skip to Content
MilliporeSigma
All Photos(1)

Documents

437298

Sigma-Aldrich

Imidazole-d4

98 atom % D

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

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

isotopic purity

98 atom % D

Quality Level

200

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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).

Recommended products

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 1B - Skin Corr. 1B

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 2

flash_point_f

293.0 °F - closed cup

flash_point_c

145.00 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Xu Wang et al.
Nature communications, 7, 13583-13583 (2016-11-24)
PEP-19 is a small protein that increases the rates of Ca
Synthesis of the perdeuterated cellulose solvents 1-ethyl-3-methylimidazolium acetate (EMIM-OAc-d14) and 1-butyl-3-methylimidazolium acetate (BMIM-OAc-d18) and of 2-13C-butyl-3-methylimidazolium acetate.
Yoneda Y, et al.
Journal of Labelled Compounds & Radiopharmaceuticals, 52(6), 223-226 (2009)
Far-Infrared Spectra and Hydrogen-Bond Frequencies of Imidazole.
Perchard C and Novak A.
J. Chem. Phys. , 48(7), 3079-3084 (1968)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service