Determine the necessary mass, volume, or concentration for preparing a solution.
≥99.8 atom% D, contains 0.03 % (v/v) TMS for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated,Cool Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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.
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.
| Sonrisas canónicas | CC#N |
|---|---|
| IUPAC Name | 2,2,2-trideuterioacetonitrile |
| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
| INCHI | 1S/C2H3N/c1-2-3/h1H3/i1D3 |
| Isómeros SMILES | [2H]C([2H])([2H])C#N |
| WGK Alemania | 2 |
| CAS alternativo | 75-05-8(Unlabeled) |
| Número ONU | 1648 |
| Peso molecular | 44.07 |
| Beilstein | 1740230 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 12, 2026 | A100970 | |
| Certificate of Analysis | Feb 04, 2026 | A100970 | |
| Certificate of Analysis | Feb 04, 2026 | A100970 | |
| Certificate of Analysis | Sep 22, 2025 | A100970 | |
| Certificate of Analysis | Aug 14, 2025 | A100970 | |
| Certificate of Analysis | Feb 07, 2025 | A100970 | |
| Certificate of Analysis | Nov 15, 2024 | A100970 | |
| Certificate of Analysis | May 11, 2024 | A100970 | |
| Certificate of Analysis | Nov 22, 2023 | A100970 | |
| Certificate of Analysis | Nov 20, 2023 | A100970 | |
| Certificate of Analysis | Jul 11, 2023 | A100970 | |
| Certificate of Analysis | Jul 11, 2023 | A100970 | |
| Certificate of Analysis | May 08, 2023 | A100970 | |
| Certificate of Analysis | May 08, 2023 | A100970 | |
| Certificate of Analysis | May 08, 2023 | A100970 | |
| Certificate of Analysis | May 08, 2023 | A100970 | |
| Certificate of Analysis | Jan 11, 2023 | A100970 | |
| Certificate of Analysis | Jun 17, 2022 | A100970 | |
| Certificate of Analysis | Apr 13, 2022 | A100970 |
| Sensibilidad | Hygroscopic |
|---|---|
| Índice de refracción | 1.341 (lit.) |
| Punto de inflamación (°F) | 35.6 °F |
| Punto de inflamación (°C) | 2.00 °C |
| Punto de ebullición (°C) | 80.7°C |
| Punto de fusión (°C) | -46 °C (lit.) |
| Peso molecular | 44.070 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 44.0454 Da |
| Monoisotopic Mass | 44.0454 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 3 |
| Formal Charge | 0 |
| Complexity | 29.300 |
| Isotope Atom Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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