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437298

Sigma-Aldrich

Imidazole-d4

98 atom % D

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About This Item

Empirical Formula (Hill Notation):
C3D4N2
CAS Number:
Molecular Weight:
72.10
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.11

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

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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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Signal Word

Danger

Hazard Statements

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


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

437298-250MG:
437298-1G:
437298-VAR:
437298-BULK:


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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)

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