Basic information of acetonitrile

Acetonitrile is an organic compound with the chemical formula CH3CN or c2h3n. It is a colorless transparent liquid with excellent solvent performance. It can dissolve a variety of organic, inorganic and gaseous substances, and is infinitely miscible with water and alcohol. Acetonitrile is an important organic intermediate, which can undergo typical nitrile reactions and is used to prepare many typical nitrogen-containing compounds.

Basic information of acetonitrile

Chemical formula: c2h3n

Molecular weight: 41.052

CAS No.: 75-05-8

EINECS No.: 200-835-2

Physical and chemical properties of acetonitrile

Density: 0.786g/cm3

Melting point: -45 ℃

Boiling point: 81-82 ℃

Flash point: 12.8 ℃ (CC)

Refractive index: 1.344 (20 ℃)

Saturated vapor pressure: 13.33kpa (27 ℃)

Critical temperature: 274.7 ℃

Critical pressure: 4.83mpa

Ignition temperature: 524 ℃

Upper explosive limit (v/v): 16.0%

Lower explosive limit (v/v): 3.0%

Appearance: colorless transparent liquid

Solubility: miscible with water, soluble in ethanol, ether and other organic solvents

Acetonitrile molecular structure data

Molar refractive index: 11.22

Molar volume (cm3/mol): 54.9

Isotonic specific volume (90.2k): 120.0

Surface tension (dyne/cm): 22.7

Polarizability (10-24cm3): 4.45

Acetonitrile calculated chemical data

Reference value of hydrophobic parameter calculation (xlogp): 0

Number of hydrogen bond donors: 0

Number of hydrogen bond receptors: 1

Number of rotatable chemical bonds: 0

Number of tautomers: 0

Topological molecular polarity surface area (TPSA): 23.8

Number of heavy atoms: 3

Surface charge: 0

Complexity: 29.3

Number of isotope atoms: 0

Determine the number of atomic structure centers: 0

Number of atomic stereocenters of uncertainty: 0

Determine the number of chemical bond conformation centers: 0

Number of indeterminate chemical bond conformation centers: 0

Number of covalent bond units: 1 [4]

Acetonitrile safety information

Safety terminology

Keep away from fire and no smoking.

After eye contact, immediately flush with plenty of water and consult a doctor.

Take off all contaminated clothes immediately.

Wear appropriate protective clothing, gloves and eye / face protection.

In case of an accident or feeling unwell, seek medical attention immediately (show the label when possible).

Risk terminology

Highly flammable.

Harmful by inhalation, in contact with skin and if swallowed.

Irritating to eyes.