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Merck
CN

437298

咪唑-d4

98 atom % D

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关于此项目

经验公式（希尔记法）:
C3D4N2
化学文摘社编号:
6923-01-9
分子量:
72.10
NACRES:
NA.11
PubChem Substance ID:
24867362
UNSPSC Code:
12142201
MDL number:
MFCD00082554
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+4
Form:
powder

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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

200

bp

256 °C (lit.)

mp

89-91 °C (lit.)

mass shift

M+4

相关类别

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

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

存储类别

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MBBF1535
MBBF0270
MBBB3517V
EK2112
01515TG

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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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