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Name Acetonitrile
CAS 75-05-8
EINECS(EC#) 200-835-2
Molecular Formula C2H3N
MDL Number MFCD00001878
Molecular Weight 41.05
MOL File 75-05-8.mol

Chemical Properties

Acetonitrile is a colourless liquid, with an ether-like odour, and a polar solvent. Acetonitrile is predominantly used as a solvent in the manufacture of pharmaceuticals, for spinning fibers and for casting and molding of plastic materials, in lithium batteries, for the extraction of fatty acids from animal and vegetable oils, and in chemical laboratories for the detection of materials such as pesticide residues. Acetonitrile is also used in dyeing textiles and in coating compositions as a stabilizer for chlorinated solvents and in perfume production as a chemical intermediate. It is a by-product from the manufacture of acrylonitrile, and acetonitrile has, in fact, replaced the acrylonitrile. It is used as a starting material for the production of acetophenone, alpha-naphthaleneacetic acid, thiamine, and acetamidine. It has been used as a solvent in making pesticides, pharmaceuticals, batteries, rubber products, and formulations for nail polish remover despite its low but significant toxicity. Acetonitrile has been banned in cosmetic products in the European Economic Area (EEA) since early 2000, and acetone and ethyl are often preferred as safer for domestic use. Acetonitrile has a number of uses: primarily as an extraction solvent for butadiene; as a chemical intermediate in pesticide manufacturing; as a solvent for both inorganic and organic compounds to remove tars, phenols, and colouring matter from petroleum hydrocarbons not soluble in acetonitrile; in the production of acrylic fibres; and in pharmaceuticals, perfumes, nitrile rubber, and acrylonitrile butadiene styrene (ABS) resins; in high-performance liquid and gas chromatographic analysis; and in extraction and refining of copper.
Appearance Acetonitrile is an extremely flammable, colorless liquid with an ethereal odor
Melting point  -45 °C (lit.)
Boiling point  81-82 °C (lit.)
density  0.982 g/mL at 20 °C
vapor density  1.41 (vs air)
vapor pressure  72.8 mm Hg ( 20 °C)
refractive index  n20/D 1.344(lit.)
Fp  48 °F
storage temp.  2-8°C
solubility  organic solvents: soluble(lit.)
form  liquid
pka 25(at 25℃)
color  <10(APHA)
Specific Gravity approximate 0.78(20/20℃)
Odor Aromatic ether-like odor detectable at 40 ppm
Relative polarity 0.46
Stability: Incompatible with alkali metals, acids, bases, reducing agents and oxidizing agents. Highly flammable.
explosive limit 3.0-17%(V)
Odor Threshold 13ppm
Water Solubility  miscible
λmax λ: 195 nm Amax: ≤0.12
λ: 200 nm Amax: ≤0.032
λ: 230 nm Amax: ≤0.0044
λ: 235 nm Amax: ≤0.0044
λ: 250 nm Amax: ≤0.0044
λ: 400 nm Amax: ≤0.0044
Detection Methods GC
Merck  14,70
BRN  741857
Henry's Law Constant 7.30 at 5 °C, 8.90 at 10 °C, 11.6 at 15 °C, 14.6 at 20 °C, 17.6 at 25 °C (headspace-GC, Ji and Evans, 2007)
Dielectric constant 37.5(21℃)
Exposure limits TLV-TWA 70 mg/m3 (40 ppm) (ACGIH and OSHA); STEL 105 mg/m3 (60 ppm) (ACGIH); IDLH 4000 ppm (NIOSH).
LogP -0.340
CAS DataBase Reference 75-05-8(CAS DataBase Reference)
NIST Chemistry Reference Acetonitrile(75-05-8)
Storage Precautions Moisture sensitive;Store under nitrogen
EPA Substance Registry System 75-05-8(EPA Substance)

Safety Data

Hazard Codes  F,Xi,Xn,T
Risk Statements 
R11:Highly Flammable.
R36:Irritating to the eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R24:Toxic in contact with skin.
R20/22:Harmful by inhalation and if swallowed .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 1993 3/PG 3
WGK Germany  2
RTECS  AL7700000
Autoignition Temperature 524 °C
Hazard Note  Highly Flammable/Harmful/Irritant
HazardClass  3
PackingGroup  II
HS Code  29269095
Safety Profile
Poison by ingestion and intraperitoneal routes. Moderately toxic by several routes. An experimental teratogen. Other experimental reproductive effects. A skin and severe eye irritant. Human systemic effects by ingestion: convulsions, nausea or vomiting, and metabolic acidosis. Human respiratory system effects by inhalation. Mutation data reported. Dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosion Hazard: See also CYANIDE and NITRILES. When heated to decomposition it emits highly toxic fumes of CNand NOx,. Potentially explosive reaction with lanthanide perchlorates and nitrogen-fluorine compounds. Exothermic reaction with sulfuric acid at 53°C. Will react with water, steam, acids to produce toxic and flammable vapors. Incompatible with oleum, chlorosulfonic acid, perchlorates, nitrating agents, inchum, dinitrogen tetraoxide, N-fluoro compounds (e.g., perfluorourea + acetonitrile), HNO3, so3. To fight fire, use foam, Con, dry chemical
Hazardous Substances Data 75-05-8(Hazardous Substances Data)
LD50 orally in rats: 3800 mg/kg (Smyth)
IDLA 137 ppm

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