Skip to Content
Merck
All Photos(3)

Key Documents

More Documents

366544

Sigma-Aldrich

Acetonitrile-d3

99.8 atom % D, contains 0.03 % (v/v) TMS

Synonym(s):

Methyl-d3 cyanide, Trideuteroacetonitrile

Sign Into View Organizational & Contract Pricing
All Photos(3)

About This Item

Linear Formula:
CD3CN
CAS Number:
2206-26-0
Molecular Weight:
44.07
Beilstein:
1740230
EC Number:
218-616-5
MDL number:
MFCD00001881
UNSPSC Code:
12142201
PubChem Substance ID:
24862666
NACRES:
NA.21

isotopic purity

99.8 atom % D

Quality Level

200

Assay

99% (CP)

form

liquid

contains

0.03 % (v/v) TMS

expl. lim.

3.0-16 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.02% water
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

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

Acetonitrile-d3 (CD3CN), an organo deutero compound, is an α-deuterated alkyl nitrile. Its synthesis from acetonitrile by base-catalyzed exchange with deuterium oxide has been reported. Its molecular rotational friction coefficient has been determined by measuring 2H and 14N nuclear magnetic resonance spin–lattice relaxation times. Its orientational dynamics in nanoporous glasses has been studied using optical Kerr effect spectroscopy.

Application

Acetonitrile-d3 was used as a solvent to record Raman spectrum.
It may be used as:
  • IR and NMR solvent.
  • Probe for zeolite acidity.
  • Cartridge eluent in HPLC- SPE (solid-phase extraction)-NMR technique.

Recommended products

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.

accessory

Product No.
Description
Pricing

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

35.6 °F - closed cup

Flash Point(C)

2.00 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Customers Also Viewed

Slide 1 of 2

1 of 2

Dimethyl sulfoxide-d6 99.9 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

296147

Dimethyl sulfoxide-d6

Chloroform-d "100%", 99.96 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

494275

Chloroform-d

The lowest triplet state of 1, 3, 5-hexatrienes: Quantum chemical force field calculations and experimental resonance Raman spectra.
Negri F, et al.
J. Chem. Phys., 90(11), 5944-5963 (1989)
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)
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)
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)
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service