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Acetonitrile (CAS No.75 05 8): Formula, Properties, Preparation, And Uses

Apr 20, 2026 Leave a message

Acetonitrile (CAS No.75-05-8), also known as methyl cyanide or cyanomethane, is a colorless, volatile organic chemical solvent with a faint ethereal odor. As the simplest organic nitrile, it plays a critical role in various industrial, pharmaceutical, and analytical applications due to its unique chemical and physical properties.

 

In this article, I will share the formula, properties, preparation, and uses of acetonitrile (ACN Solvent) .

 

Acetonitrile Formula

Acetonitrile (CAS No. 75 05 8) is a hydrocyanic acid with the molecular formula CH₃CN. Based on its molecular formula, acetonitrile is classified as a nitrile due to the presence of a cyano group. The molecular weight of acetonitrile is 41.05 g/mol.

 

Structure:

Acetonitrile CH3CN consists of two carbon atoms, three hydrogen atoms, and one nitrogen atom. The nitrile group (-CN) is attached to the methyl group (-CH₃), giving it unique reactivity and polarity.

  • The structural formula of acetonitrile is shown below:

 

structural formula of acetonitrile

 

Acetonitrile (CAS No.75 05 8) Properties:

Chemical Name Acetonitrile
CAS Number 75-05-8
Molecular Formula C₂H₃N
Molecular Weight 41.05 g/mol
Appearance Colorless liquid
Odor Ether-like odor
Density 0.786 g/cm³ (20°C)
Boiling Point 81.6 °C
Melting Point -45.7 °C
Flash Point 2 °C
Autoignition Temperature 524 °C
Vapor Pressure 9.7 kPa (25°C)
Refractive Index 1.344 (20°C)
Dielectric Constant ~37.5 (25°C)
Viscosity 0.37 cP (25°C)
Solubility in Water Miscible
Polarity Polar aprotic solvent
Log P (Octanol/Water) -0.34
Evaporation Rate Fast
Explosion Limits 4.4% – 16% (v/v)

 

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Preparation of Acetonitrile chemical

Acetonitrile chemical liquid is formed as a byproduct during the production of acrylonitrile. Acetonitrile can also be prepared by hydrogenating a carbon monoxide mixture and dehydrating acetamide and ammonia.

Methyl Cyanide MeCN is also prepared from acetic acid and ammonia:

  • Step 1: Neutralize acetic acid with ammonia to produce ammonium acetate.
  • Step 2: Mix an aqueous solution of ammonium acetate with gaseous ammonia. Preheat the solution and put the mixture in a fixed bed reactor filled with aluminium oxide. This reaction yields acetonitrile mixed with gasses, and the gas can be removed by continuous refining to produce acetonitrile.

 

organic solvent Acetonitrile Uses

  1. Chromatography (HPLC): Acetonitrile ACN is used as a mobile phase due to its UV transparency, low viscosity, and high elution strength.
  2. Pharmaceutical Industry: Used in the synthesis of vitamin B, antibiotics, and other Active Pharmaceutical Ingredients (APIs).
  3. Chemical Synthesis: Acetonitrile (CAS No.75 05 8) serves as a two-carbon building block in organic chemistry.
  4. Extraction Solvent: Employed in the purification of hydrocarbons (butadiene) and extraction of fatty acids from animal/vegetable oils.
  5. Batteries: Acetonitrile liquid is used as a non-aqueous solvent in lithium-ion battery electrolytes due to its high dielectric constant.
  6. Other: Used in manufacturing pesticides, perfumes, synthetic fibers, and in photolithography.

 

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Frequently Asked Questions

1. Why is acetonitrile used in HPLC?

CAS 75-05-8 Acetonitrile AC possesses properties such as low viscosity, high elution power, low UV absorption, and good compatibility with water, making it a common choice for high-performance liquid chromatography (HPLC).

2. Is acetonitrile a base or acid?

Acetonitrile can neither be classified as an acid nor as a base.

3. Is ACN miscible with water?

Yes, Acetonitrile (ACN) is fully miscible with water at any ratio under normal ambient conditions.

4. Is acetonitrile flammable?

Yes, ACN (CAS 75-05-8) is a highly flammable liquid with a flash point of about 2°C. It should be stored away from heat, sparks, and open flames.

5. How should acetonitrile be stored?

Acetonitrile solvent should be stored:

  • In a cool, well-ventilated area
  • Away from oxidizing agents and ignition sources
  • In tightly sealed containers
  • According to hazardous chemical regulations (UN1648)

 

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Acetonitrile solvent

 

Acetonitrile organic solvent

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