Density: 0.786g/cm3

Melting point: -45°C

Boiling point: 81-82°C

Flash point: 12.8°C (CC)

Refractive index: 1.344 (20°C)

Saturated vapor pressure: 13.33kPa (27°C) [5]

Critical temperature: 274.7°C [5]

Critical pressure: 4.83MPa [5]

Ignition temperature: 524°C [5]

Explosive upper limit (V/V): 16.0% [5]

Lower explosion limit (V/V): 3.0% [5]

Appearance: colorless transparent liquid

Solubility: Miscible with water, soluble in most organic solvents such as ethanol and ether [4]

molecular structure data

Molar index of refraction: 11.22 [5]

Molar volume (cm3/mol): 54.9 [5]

Isotonic specific volume (90.2K): 120.0 [5]

Surface tension (dyne/cm): 22.7 [5]

Polarizability (10-24cm3): 4.45 [4]

Computing chemical data

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Hydrophobic parameter calculation reference value (XlogP): 0 [5] 

Number of hydrogen bond donors: 0 [5]

Number of hydrogen bond acceptors: 1 [5]

Number of rotatable bonds: 0 [5]

Number of tautomers: 0

Topological Molecular Polar Surface Area (TPSA): 23.8 [5]

Number of heavy atoms: 3 [5]

Surface charge: 0 [5]

Complexity: 29.3 [5]

Number of isotope atoms: 0 [5]

Determine the number of stereocenters: 0 [5]

Uncertain number of stereocenters: 0 [5]

Determine the number of stereocenters of the chemical bond: 0 [5]

Uncertain number of bond stereocenters: 0 [5]

Number of covalent bond units: 1 [4]

use

1. Chemical analysis and instrumental analysis

Acetonitrile has been used as an organic modifier and solvent in thin layer chromatography, paper chromatography, spectroscopic and polarographic analysis in recent years. Since high-purity acetonitrile does not absorb ultraviolet rays at 200nm to 400nm, an application being developed is as a solvent for high-performance liquid chromatography (HPLC), which can make the analytical sensitivity as high as 10-9.

2. Hydrocarbon extraction and separation solvent

Acetonitrile is a widely used solvent, mainly used as a solvent for extractive distillation to separate butadiene from C4 hydrocarbons. Acetonitrile is also used for the separation of other hydrocarbons, such as the separation of propylene, isoprene and methyl acetylene from hydrocarbon fractions. Acetonitrile is also used for some special separations, such as extracting and separating fatty acids from vegetable oil and cod liver oil, so that the treated oil has a light color, purity, and improved odor, while the vitamin content remains unchanged. Acetonitrile is also widely used as a solvent in the pharmaceutical, pesticide, textile, and plastic sectors.  [2]

3. Synthetic intermediates of pharmaceuticals and pesticides

Acetonitrile can be used to synthesize various pharmaceutical and pesticide intermediates. In medicine, it is used to synthesize a series of important drug intermediates such as vitamin B1, metronidazole, ethambutol, triamterene, adenine and ditidine; in pesticides, it is used to synthesize pyrethroids Insecticides and pesticide intermediates such as acetoxicarb.  [1]

4. Semiconductor cleaning agent

Acetonitrile is a highly polar organic solvent, which has good solubility to grease, inorganic salts, organic matter and polymer compounds, and can clean grease, wax, fingerprints, corrosives and flux residues on silicon wafers. Therefore, high-purity acetonitrile can be used as a semiconductor cleaning agent.

5. Other applications

In addition to the above applications, acetonitrile can also be used as organic synthesis raw materials, catalysts or components of transition metal complex catalysts. In addition, acetonitrile has applications in fabric dyeing and coating formulations, and it is an effective stabilizer for chlorinated solvents.

Fire-fighting measures

Hazardous characteristics: flammable, its vapor and air can form an explosive mixture, and it may cause a danger of combustion and explosion when exposed to open flames, high heat or contact with oxidants. It can react with oxidants. There is a luminous flame when burning. React violently with sulfuric acid, oleum, chlorosulfonic acid, perchlorate, etc.

Hazardous combustion products: carbon monoxide, carbon dioxide, nitrogen oxides, hydrogen cyanide.

Fire fighting method: spray water to cool the container, if possible, move the container from the fire site to an open place.

Extinguishing agent: Alcohol-resistant foam, dry powder, carbon dioxide, sand. Extinguishing with water is ineffective.

Spill emergency treatment

Quickly evacuate the personnel in the leaked contaminated area to a safe area, and isolate them, strictly restricting access. Cut off the fire source. It is recommended that emergency personnel wear self-contained positive pressure breathing apparatus and wear protective clothing. Do not come into direct contact with spilled material. Cut off the source of the leak as much as possible. Prevent flowing into restricted spaces such as sewers and flood drains.

Small spills: Absorb with activated carbon or other inert material. It can also be washed with a large amount of water, and the washed water is diluted and put into the waste water system.

Large amount of leakage: Construct dikes or dig pits for containment. Sprayed water cools and dilutes steam, protects personnel on site, and dilutes spills into incombustibles. Use an explosion-proof pump to transfer to a tank truck or a special collector, recycle or transport to a waste disposal site for disposal.

Handling and Storage

Handling Precautions: Strictly enclosed, provide adequate local exhaust and general ventilation. The operation is as mechanized and automated as possible. Operators must undergo special training and strictly abide by the operating procedures. It is recommended that the operator wear a filter gas mask (full face mask), self-contained breathing apparatus or ventilated respirator, wear tape anti-virus clothing, and wear rubber oil-resistant gloves. Keep away from fire and heat sources, and smoking is strictly prohibited in the workplace. Use explosion-proof ventilation systems and equipment. Keep away from flammable and combustible materials. Prevent vapors from escaping into workplace air. Avoid contact with oxidizing agents, reducing agents, acids, and alkalis. When handling, load and unload lightly to prevent damage to packaging and containers. Equipped with corresponding types and quantities of fire-fighting equipment and leakage emergency treatment equipment. Empty containers may be harmful residues.

Precautions for storage: Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Storage temperature should not exceed 30°C. Keep container tightly closed. It should be stored separately from oxidizing agents, reducing agents, acids, alkalis, flammable (combustible) substances, and food chemicals, and should not be stored together. Explosion-proof lighting and ventilation facilities are adopted. Prohibit the use of mechanical equipment and tools that are prone to sparks. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.