437298
Imidazole-d4
98 atom % D
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About This Item
Empirical Formula (Hill Notation):
C3D4N2
CAS Number:
Molecular Weight:
72.10
NACRES:
NA.11
PubChem Substance ID:
UNSPSC Code:
12142201
MDL number:
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+4
Form:
powder
InChI
1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
SMILES string
[2H]c1nc([2H])n([2H])c1[2H]
InChI key
RAXXELZNTBOGNW-MSWVZFBTSA-N
isotopic purity
98 atom % D
assay
99% (CP)
form
powder
Quality Level
bp
256 °C (lit.)
mp
89-91 °C (lit.)
mass shift
M+4
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).
Other Notes
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signalword
Danger
hcodes
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
WGK 2
flash_point_f
293.0 °F - closed cup
flash_point_c
145.00 °C - closed cup
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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
Far-Infrared Spectra and Hydrogen-Bond Frequencies of Imidazole.
Perchard C and Novak A.
J. Chem. Phys. , 48(7), 3079-3084 (1968)
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)
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