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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

Pricing and availability is not currently available.

isotopic purity

98 atom % D

Quality Level

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

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1 of 4

This Item
PHR2459PHR2231PHR2075
application(s)

pharmaceutical

application(s)

pharmaceutical small molecule

application(s)

pharmaceutical small molecule

application(s)

pharmaceutical small molecule

form

powder

form

solid

form

powder

form

-

Quality Level

300

Quality Level

300

Quality Level

300

Quality Level

300

grade

certified reference material, pharmaceutical secondary standard

grade

certified reference material, pharmaceutical secondary standard

grade

certified reference material, pharmaceutical secondary standard

grade

certified reference material, pharmaceutical secondary standard

storage temp.

2-30°C

storage temp.

2-8°C

storage temp.

-10 to -25°C

storage temp.

2-30°C

packaging

pkg of 1 g

packaging

pkg of 50 mg

packaging

pkg of 100 mg

packaging

pkg of 50 mg

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.[1]

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).[2]

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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


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