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569550

Sigma-Aldrich

Acetonitrile-d3

≥99.8 atom % D, anhydrous

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Synonym(s):
Methyl-d3 cyanide, Trideuteroacetonitrile
Linear Formula:
CD3CN
CAS Number:
2206-26-0
Molecular Weight:
44.07
Beilstein:
1740230
MDL number:
MFCD00001881
UNSPSC Code:
12142201
PubChem Substance ID:
329758252
NACRES:
NA.21

grade

anhydrous

Quality Level

200

isotopic purity

≥99.8 atom % D

Assay

≥99% (CP)

form

liquid

expl. lim.

3.0-16 % (lit.)

technique(s)

NMR: suitable

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

SMILES string

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

InChI

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

InChI key

WEVYAHXRMPXWCK-FIBGUPNXSA-N

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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.

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Classifications

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

WGK

WGK 2

Flash Point(F)

35.6 °F

Flash Point(C)

2.00 °C

Regulatory Information

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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
Organic deuterium compounds: XVI. Synthesis of α-deuterated alkyl nitriles.
Leitch LC.
Canadian Journal of Chemistry, 35(4), 345-347 (1957)
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)
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)
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)
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