Acetonitrile-d3 | CAS#2206-26-0
Acetonitrile-d3, also known as Trideuteroacetonitrile, CD₃CN or Deuterated Acetonitrile, is a high-purity deuterated solvent specially formulated for NMR (Nuclear Magnetic Resonance) analysis, with an isotopic purity of 99 atom % D.
It is widely adopted for both ¹H NMR (Proton Nuclear Magnetic Resonance) and ¹³C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral characterization. The low residual proton signal provides a clean baseline, minimizing interference with target analyte peaks and supporting accurate qualitative identification and quantitative calculation of organic molecules.
Research applications include measurement of molecular rotational friction coefficient and magnetic relaxation times (T1) for ¹⁴N and ²D of CD₃CN. It also acts as an inert reaction medium in organic synthesis, such as the synthesis of 2-phenylindole and other fine chemical intermediates.
This solvent features good solubility, fully miscible with water, alcohols and most common organic solvents, delivering stable performance in pharmaceutical R&D, academic laboratories, fine chemical development and material science research.
Core Specs
CAS Number: 2206-26-0
Chemical Formula: C₂D₃N (CD₃CN)
Isotopic Purity: 99 atom % D
Appearance: Colorless transparent liquid
Hazard Class: Class 3 Flammable Liquid
Packing & Supply
MOQ: 1 FCL
Packaging: UN-certified glass bottles or stainless steel drums, customizable
Available Documents: COA, SDS, TDS, Packing List & Commercial Invoice
Contact us to get the latest quotation and full technical documentation.
| ACETONITRILE-D3 Chemical Properties |
| Melting point | -45°C |
| Melting point | -46 °C |
| Boiling point | 80.7 °C(lit.) |
| Boiling point | 81,6°C |
| density | 0.844 g/mL at 25 °C(lit.) |
| density | d = 0,84 |
| vapor pressure | 97 hPa (20 °C) |
| refractive index | n |
| Fp | 42 °F |
| storage temp. | Store below +30°C. |
| solubility | soluble in Most Organic Solvents |
| form | Liquid In Prescored Ampoules, (0.75Ml/ampoule) |
| color | Colorless |
| Specific Gravity | 0.844 |
| explosive limit | 3.0-16%(V) |
| Water Solubility | Miscible with water, ethanol, diethyl ether, acetone, benzene, methanol, methyl acetate, ethyl acetate, acetamide solutions, chloroform, carbon tetrachloride, ethylene chloride and unsaturated hydrocarbons. Immiscible with saturated hydrocarbons. |
| Sensitive | Hygroscopic |
| Merck | 14,70 |
| BRN | 1740230 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. |
| InChI | 1S/C2H3N/c1-2-3/h1H3/i1D3 |
| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
| SMILES | [2H]C([2H])([2H])C#N |
| CAS DataBase Reference | 2206-26-0(CAS DataBase Reference) |
| Safety Information |
| Hazard Codes | T,F,Xn |
| Risk Statements | 11-20/21/22-36-36/37/38-23/24/25-10 |
| Safety Statements | 16-36/37-45-27-26 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| F | 10 |
| Autoignition Temperature | 525 °C |
| HS Code | 2845 90 10 |
| HazardClass | 3 |
| PackingGroup | II |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
| Toxicity | LD50 orally in Rabbit: 2730 - 3800 mg/kg LD50 dermal Rabbit 988 mg/kg |
