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)

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

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

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.

Uses

Acetonitrile-d₃ may be used as:

• IR and NMR solvent.
• Probe for zeolite acidity.
• Cartridge eluent in HPLC– SPE (solid-phase extraction)–NMR technique.

Uses

Acetonitrile-d3 is used as a polar aprotic solvent in organic synthesis.

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(2206-26-0)Related Product Information

• ACETONITRILE-D3
• METHANE-D3
• Acetonitrile-2-13C-2,2,2-d3
• 2-(3-METHOXYPHENYL)ACETONITRILE
• 2-[3-(TRIFLUOROMETHYL)PHENYL]ACETONITRILE
• 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETONITRILE
• (2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-ACETONITRILE
• 2-(3-PHENOXYPHENYL)ACETONITRILE
• 2-(3-CHLOROPHENOXY)ACETONITRILE
• DEUTERIUM
• METHANE (D1)
• ETHANE-1,1-D2
• ETHANE-1,1,1-D3
• DEUTERIUM HYDRIDE
• ETHANE-D
• METHANE-D2
• 2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)-2-(2,4-DICHLOROPHENYL)ACETONITRILE
• 2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-(4-NITROPHENYL)ACETONITRILE,2-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YL]-2-(4-NITROPHENYL)ACETONITRILE