ACETONITRILE-D3 CAS#2206-26-0

  • CAS Number: 2206-26-0

    Chemical Formula: C2D3N

  • Synonyms:

    • ACETONITRILE-D3, ISOTOPIC PURITY 99%

    • DEUTERATED ACETONITRILE

    • Acetonitriledisotopicpurity

    Appearance: Colorless Liquid

  • MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)


Product Details

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 

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

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

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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