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Merck

563102

Acetonitrile-d3

96-97 atom % D, D2O 15-20 %

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.12
PubChem Substance ID:
24880079
EC Number:
218-616-5
Beilstein/REAXYS Number:
1740230
MDL number:
MFCD00001881
Isotopic purity:
96-97 atom % D
Assay:
80% (CP)
Mass shift:
M+3
Form:
liquid

Key Documents

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InChI

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

InChI key

WEVYAHXRMPXWCK-FIBGUPNXSA-N

SMILES string

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

isotopic purity

96-97 atom % D

assay

80% (CP)

form

liquid

composition

D2O, 15-20%

refractive index

n20/D 1.341 (lit.)

bp

80.7 °C (lit.)

density

0.844 g/mL at 25 °C (lit.)

mass shift

M+3

Quality Level

200

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General description

Acetonitrile-d3 96-97 atom % D, D2O 15-20 % is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes. Produced by Sigma-Aldrich, we are committed to providing quality isotope products and a reliable supply chain. Available in industrial and pre-pack quantities.

Application

- NMR spectroscopy solvent for biomolecular structure analysis
- Neutron scattering experiments in materials science
- metabolic labeling studies in biological research
- Mass spectrometry calibration

Features and Benefits

Features
- High reactivity for diverse applications
- Supports innovative pharmaceutical research
- Produces minimal by-products in reactions
- Suitable for various biological studies

Benefits
- Streamlines the pharmaceutical development process
- Enhances effectiveness of biological assays
- Improves accuracy in metabolic studies
- Supports advancements in personalized medicine

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

84.0 °F - closed cup

flash_point_c

28.9 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
EB0434
OOS-EB0132
14607LO
EQ0353
CL1375

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Alejandro G Lichtscheidl et al.
Dalton transactions (Cambridge, England : 2003), 44(36), 16156-16163 (2015-08-22)
The synthesis and full characterization, including Nuclear Magnetic Resonance (NMR) data ((1)H, (13)C{(1)H} and (119)Sn{(1)H}), for a series of Me3SnX (X = O-2,6-(t)Bu2C6H3 (), (Me3Sn)N(2,6-(i)Pr2C6H3) (), NH-2,4,6-(t)Bu3C6H2 (), N(SiMe3)2 (), NEt2, C5Me5 (), Cl, Br, I, and SnMe3) compounds in
Anne Warner et al.
Journal of pharmaceutical and biomedical analysis, 105, 46-54 (2014-12-22)
Stability-indicating reversed phase HPLC methods have been developed and validated for the determination of 13 potential process and degradation impurities in pemetrexed disodium drug substance (DS) and pemetrexed for injection drug product (DP). This paper describes the development of HPLC-UV

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