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: 2026-05-28 01:25:33

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	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)
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.