151807
Acetonitrile-d3
≥99.8 atom % D
Synonym(s):
Methyl-d3 cyanide, Trideuteroacetonitrile
Sign In to View Organizational & Contract Pricing.
Select a Size
Change View
About This Item
Linear Formula:
CD3CN
CAS Number:
Molecular Weight:
44.07
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
218-616-5
Beilstein/REAXYS Number:
1740230
MDL number:
Isotopic purity:
≥99.8 atom % D
Assay:
≥99% (CP)
Mass shift:
M+3
Form:
liquid
isotopic purity
≥99.8 atom % D
Quality Level
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
General description
Acetonitrile-d3 (Trideuteroacetonitrile, CD3CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T1) for 14N and 2D of CD3CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for 1H NMR (Proton Nuclear Magnetic Resonance) and 13C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.
Application
Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy.
Other Notes
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.
Still not finding the right product?
Explore all of our products under Acetonitrile-d3
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
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as 31P qNMR standards.
Weber M, et al.
Analytical and Bioanalytical Chemistry, 407(11), 91-98 (2015)
Ultrafast Ring-Closure Reaction of Photochromic Indolylfulgimides Studied with UV-Pump- IR-Probe Spectroscopy
Koller.OF, et al.
The Journal of Physical Chemistry A, 112(2), 210-214 (2008)
Synthesis and Structure of Homoleptic Iron Complex Bearing Pincer-Type 1, 2, 3-Triazol-5-ylidene.
Iwasaki H, et al.
Organic Chemistry Current Research, 6, 2161-0401 (2016)