ACETONITRILE-D3
Synonym(s):Methyl-d3 cyanide;Trideuteroacetonitrile
- CAS NO.：2206-26-0
- Empirical Formula: C2D3N
- Molecular Weight: 44.07
- MDL number: MFCD00001881
- EINECS: 218-616-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-24 21:24:35
What is ACETONITRILE-D3?
Chemical properties
colourless liquid
The Uses of ACETONITRILE-D3
Acetonitrile-d3 is used as a polar aprotic solvent in organic synthesis.
The Uses of ACETONITRILE-D3
Isotope labeled Acetonitrile is used as a polar aprotic solvent in organic synthesis. Acetonitrile-d3 is used as IR and NMR solvent. Probe for zeolite acidity. Cartridge eluent in HPLC- SPE (solid-phase extraction)-NMR technique.
The Uses of ACETONITRILE-D3
Acetonitrile-d3 may be used as:
- IR and NMR solvent.
- Probe for zeolite acidity.
- Cartridge eluent in HPLC– SPE (solid-phase extraction)–NMR technique.
Definition
ChEBI: Acetonitrile-d3 is a deuterated compound.
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.
Properties of ACETONITRILE-D3
| Melting point: | -46 °C |
| Boiling point: | 80.7 °C(lit.) |
| Density | 0.844 g/mL at 25 °C(lit.) |
| vapor pressure | 97 hPa (20 °C) |
| refractive index | n |
| Flash point: | 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. |
| CAS DataBase Reference | 2206-26-0(CAS DataBase Reference) |
Safety information for ACETONITRILE-D3
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for ACETONITRILE-D3
| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
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