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Merck

569550

Acetonitrile-d3

≥99.8 atom % D, anhydrous

Synonym(s):

Methyl-d3 cyanide, Trideuteroacetonitrile

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About This Item

Linear Formula:
CD3CN
CAS Number:
2206-26-0
Molecular Weight:
44.07
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
329758252
MDL number:
MFCD00001881
Beilstein/REAXYS Number:
1740230
Isotopic purity:
≥99.8 atom % D
Assay:
≥99% (CP)
Mass shift:
M+3

Key Documents

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InChI

1S/C2H3N/c1-2-3/h1H3/i1D3

SMILES string

[2H]C([2H])([2H])C#N

InChI key

WEVYAHXRMPXWCK-FIBGUPNXSA-N

grade

anhydrous

isotopic purity

≥99.8 atom % D

assay

≥99% (CP)

Quality Level

200

expl. lim.

3.0-16 % (lit.)

impurities

>10 ppm water

refractive index

n20/D 1.341 (lit.)

bp

80.7 °C (lit.)

mp

-46 °C (lit.)

density

0.844 g/mL at 25 °C (lit.)

mass shift

M+3

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Application

Acetonitrile-d3 may be used as:
  • IR and NMR solvent.
  • Probe for zeolite acidity.
  • Cartridge eluent in HPLC– SPE (solid-phase extraction)–NMR technique.

Other Notes

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

35.6 °F - closed cup

flash_point_c

2.00 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MBBF0707
MBBD8025
MBBD3882
MBBC3748
CC0204

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Maja Lambert et al.
Magnetic resonance in chemistry : MRC, 43(9), 771-775 (2005-07-29)
The HPLC-SPE-NMR technique was used for the analysis of a root-bark extract of Croton membranaceus. The components of the extract were separated on an analytical-size reversed-phase HPLC column, the chromatographic peaks were trapped on SPE (solid-phase extraction) cartridges after post-column
Proton polarizability caused by collective proton motion in intramolecular chains formed by two and three hydrogen bonds. Implications for charge conduction in bacteriorhodopsin.
Brzezinski B, et al.
The Journal of Physical Chemistry, 91(11), 3077-3080 (1987)
Acetonitrile-d3 as a probe of Lewis and Broensted acidity of zeolites.
Pelmenschikov AG, et al.
The Journal of Physical Chemistry, 97(42), 11071-11074 (1993)
Organic deuterium compounds: XVI. Synthesis of α-deuterated alkyl nitriles.
Leitch LC.
Canadian Journal of Chemistry, 35(4), 345-347 (1957)
Dynamics of a wetting liquid in nanopores: An optical Kerr effect study of the dynamics of acetonitrile confined in sol-gel glasses.
Loughnane BJ, et al.
J. Chem. Phys. , 111(11), 5116-5123 (1999)
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