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ACETONITRILE-D3

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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
  • Analytical Chemistry
  • Deuterated Compounds for NMR
  • NMR Spectrometry
  • 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
Mol File:
2206-26-0.mol
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ACETONITRILE-D3 Chemical Properties

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 
n20/D 1.341(lit.)
Flash point:
42 °F
storage temp. 
Store below +30°C.
solubility 
soluble in Most Organic Solvents
form 
Liquid In Prescored Ampoules, (0.75Ml/ampoule)
Specific Gravity
0.844
color 
Colorless
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.
InChIKey
WEVYAHXRMPXWCK-FIBGUPNXSA-N
CAS DataBase Reference
2206-26-0(CAS DataBase Reference)
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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
Toxicity
LD50 orally in Rabbit: 2730 - 3800 mg/kg LD50 dermal Rabbit 988 mg/kg

MSDS

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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.

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