ACETONITRILE-D3 CAS#2206-26-0
CAS Number: 2206-26-0
Chemical Formula: C2D3N
Synonyms:
ACETONITRILE-D3, ISOTOPIC PURITY 99%
DEUTERATED ACETONITRILE
Acetonitriledisotopicpurity
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Appearance: Colorless Liquid
ACETONITRILE-D3 CAS#2206-26-0
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.
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 |
Toxicity | LD50 orally in Rabbit: 2730 - 3800 mg/kg LD50 dermal Rabbit 988 mg/kg |
Product Application of ACETONITRILE-D3 CAS#2206-26-0
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.
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