acetonitrile

CAS No. 75-05-8

Formula: C2H3N
Basic Info

Acetonitrile is the chemical compound with the formula CH 3CN. This colourless liquid is the simplest organic nitrile (hydrogen cyanide is a simpler nitrile, but the cyanide anion is not classed as organic). It is produced mainly as a byproduct of acrylonitrile manufacture. It is used as a polar aprotic solvent in organic synthesis and in the purification of butadiene.
In the laboratory, it is used as a medium-polarity solvent that is miscible with water and a range of organic solvents, but not saturated hydrocarbons. It has a convenient liquid range and a high dielectric constant of 38.8. With a dipole moment of 3.92D, acetonitrile dissolves a wide range of ionic and nonpolar compounds and is useful as a mobile phase in HPLC and LC-MS. The N-C-C skeleton is linear with a short C-N distance of 1.16 Å.
Acetonitrile was first prepared in 1847 by the French chemist Jean-Baptiste Dumas.

Formula
C2H3N
Molecular Weight
41.0519
Exact Mass
41.0265
LogP
0.52988
PSA
23.79
Synonyms

Acetonitril

ACN

CH3CN

usafek-488

NA 1648

Acetonitrile

Cyanomethan

expand collapse

Properties
Appearance & Physical State
Clear liquid
Density
0.7857
Boiling Point
81-82ºC
Melting Point
-46ºC
Flash Point
2ºC
Refractive Index
1.343-1.345
Water Solubility
miscible
Stability
Stability Unstable. Incompatible with alkali metals, acids, bases, reducing agents and oxidizing agents. Highly flammable.
Storage Condition
2-8ºC
Vapor Density
1.41 (vs air)
Vapor Pressure
72.8 mm Hg ( 20 °C)
Safety Info
RTECS
AL7700000
Safety Statements
S16-S36/37
WGK Germany
2
Risk Statements
R11; R20/21/22; R36
HS Code
2926909090
RIDADR
UN 1648
Hazard Class
3
Packing Group
II
Caution Statement
P210; P261; P302 + P352 + P312; P304 + P340 + P312; P337 + P313; P403 + P235
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CDCl3
expand collapse
Mass Spectrum Mass
expand collapse
Raman Spectrum Raman : 4880 A,150M,liquid
expand collapse

Related Compound Information

PRODUCTS
Coming Soon
SUPPLIERS
Coming Soon
BRANDING
Coming Soon