Acetonitrile-d3
ALDRICH/151807 - ≥99.8 atom % D
Synonym: Methyl-d3 cyanide; Trideuteroacetonitrile
CAS Number: 2206-26-0
Empirical Formula (Hill Notation): C2D3N
Molecular Weight: 44.07
EC Number: 218-616-5
MDL Number: MFCD00001881
Linear Formula: CD3CN
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 151807-10G-GL
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 151807-25G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 151807-50G
| assay | ≥99% (CP) |
| bp | 80.7 °C (lit.) |
| density | 0.844 g/mL at 25 °C (lit.) |
| expl. lim. | 3.0-16 % (lit.) |
| form | liquid |
| impurities | ≤0.0200% water water |
| InChI | 1S/C2H3N/c1-2-3/h1H3/i1D3 |
| InChI key | WEVYAHXRMPXWCK-FIBGUPNXSA |
| isotopic purity | ≥99.8 atom % D |
| mass shift | M+3 |
| mp | -46 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | [2H]C([2H])([2H])C#N |
| technique(s) | NMR: suitable |
| 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. |
| 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. |
| Packaging: | 10×0.6, 10×0.75, 10×1 mL in ampule |
| Packaging: | 10, 25, 50 g in glass bottle |
| Packaging: | 100 g in Sure/Seal™ |
| Packaging: | 5, 10 g in ampule |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H225 - H302 + H312 - H319 - H331 |
| Precautionary statements | P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-20/21/22-36 |
| Safety Statements | 16-36/37 |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 35.6 °F - closed cup |
| Flash Point(C) | 2.00 °C - closed cup |
| Purity | ≥99% (CP) |
| bp | 80.7 °C (lit.) |
| mp | -46 °C (lit.) |
| Density | 0.844 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |