Acetonitrile-d3
ALDRICH/366544 - 99.8 atom % D, contains 0.03 % (v/v) TMS
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: 366544-25G
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: 366544-50G
| assay | 99% (CP) |
| bp | 80.7 °C (lit.) |
| contains | 0.03 % (v/v) TMS |
| density | 0.844 g/mL at 25 °C (lit.) |
| expl. lim. | 3.0-16 % (lit.) |
| form | liquid |
| impurities | ≤0.02% 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 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. |
| General description: | 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. |
| Packaging: | 10×0.6 mL in ampule |
| Packaging: | 25, 10×25, 50 g in glass bottle |
| Packaging: | 5 g in ampule |
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| 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 |