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Sigma-Aldrich

Acetonitrile-d3

"100%", 99.96 atom % D

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Synonym(s):
Methyl-d3 cyanide, Trideuteroacetonitrile
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:
24853968
NACRES:
NA.21

Quality Level

200

isotopic purity

99.96 atom % D

Assay

99% (CP)

form

liquid

expl. lim.

3.0-16 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.0200% 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

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General description

Acetonitrile-d3 is (Trideuteroacetonitrile, CD3CN) is a deuterated form of acetonitrile. It is 100% isotopically enriched NMR (nuclear magnetic resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity.

Application

Acetonitrile-d3 used as a solvent:
  • During the synthesis of 2- phenylindole to determined yield of the by NMR spectroscopy.
  • For 1H NMR (proton nuclear magnetic resonance) spectral studies.

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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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

美国出口管控1C298产品
危险化学品

Certificates of Analysis (COA)

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Bryan J Leong et al.
Plant physiology, 183(3), 915-924 (2020-05-02)
Plants make many biologically active, specialized metabolites, which vary in structure, biosynthesis, and the processes they influence. An increasing number of these compounds are documented to protect plants from insects, pathogens, or herbivores or to mediate interactions with beneficial organisms
Márk Szabó et al.
Chirality, 32(4), 446-456 (2020-02-08)
Dirhodium complexes bearing N-substituted chiral amino acid ligands are investigated. These complexes have an unusual twisted paddlewheel structure, showing inherent chirality. We would like to demonstrate that parallel application of chiroptical spectroscopic methods (ECD and VCD) and NMR spectroscopy combined
Magnetic Resonance Studies of Anisotropic Molecular Rotation in Liquid Acetonitrile-d3.
Bopp TT.
J. Chem. Phys. , 47(9), 3621-3626 (1967)
[Cp*IrCl2]2-catalysed cyclization of 2-alkynylanilines into indoles.
Kumaran E and Leong WK.
Tetrahedron Letters, 55(40), 5495-5498 (2014)
Pressure dependencies of rotational, translational, and viscous friction coefficients in water-d2, acetonitrile-d3, acetonitrile, chloroform, and benzene.
Wakai C and Nakahara M.
J. Chem. Phys. , 100(11), 8347-8358 (1994)
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