ACETONITRILE-D3 CAS 2206-26-0

Introduction：Basic information about ACETONITRILE-D3 CAS 2206-26-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

ACETONITRILE-D3 Basic information

• Product Name: ACETONITRILE-D3
• Synonyms: DEUTERATED ACETONITRILE;[2H3]acetonitrile;Acetonitrile-d₃ ;Acetonitrile-d₃;Acetonitriledisotopicpurity;ACETONITRILE-D3, 99.8 ATOM % D (CONTAINS;ACETONITRILE-D3,99.8 ATOM % D (CONTAINSAP PROXIMATELY 15-20% D2O);ACETONITRILE-D3, ISOTOPIC PURITY 99%
• CAS: 2206-26-0
• MF: C2D3N
• MW: 44.07
• EINECS: 218-616-5
• Product Categories: Acetonitrile-d3;Acetonitrile and Acetonitrile Solutions;Air-Sensitive NMR;Anhydrous NMR Solvents;Anhydrous NMR Solvents for Air Sensitive NMR;Labware;NMR;NMR Solvents;NMR Solvents and Reagents;Solvent by Application;Solvent by Type;Solvents;Specialty NMR Solvents;Spectroscopy Solvents (IR;Stable Isotopes;Tubes and Accessories;UV/Vis);A;Aldrich High Purity NMR Solvents for Routine NMR;Alphabetical Listings;High Throughput NMR;Routine NMR;Solvents for High Throughput NMR;Aldrich 100% NMR Solvents for High Resolution;High Resolution NMR;Analytical Chemistry;Deuterated Compounds for NMR;NMR Spectrometry
• Mol File: 2206-26-0.mol

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: n20/D 1.341(lit.)
• 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

ACETONITRILE-D3 Usage And Synthesis

Chemical Properties

colourless liquid

Uses

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.

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.

ACETONITRILE-D3 Preparation Products And Raw materials

• Preparation Products: 2-METHYL-6-VINYLPYRIDINE