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Acetonitrile (75-05-8)

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Chemistry

Structure of Acetonitrile (CAS NO.75-05-8):

Molecular formula: C2H3N
Molar Weight: 41.05 g mol 
EINECS: 200-835-2 
Index of Refraction: 1.33
Density: 0.7857 g/cm3
Flash Point: 2 °C
Enthalpy of Vaporization: 29.75 kJ/mol
Boiling Point: 81-82 °C at 760 mmHg
Vapour Pressure: 171 mmHg at 25 °C
Melting point: -48 °C(lit.)
Storage tempreture: 2-8 °C
Water solubility: Miscible
Appearance: A colorless limpid liquid with an aromatic odor
IUPAC Name: Acetonitrile
Product Category: Nitriles;Analytical Chemistry;Solvents for Spectrophotometry;Reagents for Protein Sequencing;LC-MS Blends;Spectroscopy

Uses

 Acetonitrile (CAS NO.75-05-8) is widely used as a polar aprotic solvent in synthetic chemistry, and as a medium-polarity solvent in HPLC.

Production

 Acetonitrile (CAS NO.75-05-8) can be obtained with alumina as catalyst at 360 °C for reaction. Reaction equation: CH3COOH + NH3 [Al2O3] → CH3CN +2 H2O

Toxicity Data With Reference
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 18gm/m3 (18000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
cat LD50 oral 200mg/kg (200mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
child TDLo oral 800mg/kg (800mg/kg) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
GASTROINTESTINAL: NAUSEA OR VOMITING		 American Journal of Emergency Medicine. Vol. 9, Pg. 268, 1991.
dog LCLo inhalation 16000ppm/4H (16000ppm)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
frog LDLo subcutaneous 9100mg/kg (9100mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig LC50 inhalation 5655ppm/4H (5655ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BLOOD: HEMORRHAGE
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
guinea pig LD50 oral 177mg/kg (177mg/kg)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
human TCLo inhalation 160ppm/4H (160ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 65, 1969.
mammal (species unspecified) LD50 oral 1670mg/kg (1670mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
man TDLo oral 64mg/kg (64mg/kg) BEHAVIORAL: EXCITEMENT Journal of Toxicology, Clinical Toxicology. Vol. 29, Pg. 447, 1991.
man TDLo oral 571mg/kg (571mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
GASTROINTESTINAL: NAUSEA OR VOMITING		 Acta Pharmacologica et Toxicologica, Supplementun. Vol. 41, Pg. 340, 1977.
mouse LC50 inhalation 2693ppm/1H (2693ppm) LIVER: OTHER CHANGES Clinical Toxicology. Vol. 18, Pg. 991, 1981.
mouse LD50 intraperitoneal 175mg/kg (175mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BEHAVIORAL: ATAXIA		 Toxicology and Applied Pharmacology. Vol. 59, Pg. 589, 1981.
mouse LD50 intravenous 612mg/kg (612mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
mouse LD50 oral 269mg/kg (269mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.
mouse LD50 subcutaneous 4480mg/kg (4480mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
rabbit LC50 inhalation 2828ppm/4H (2828ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BLOOD: HEMORRHAGE
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rabbit LD50 oral 50mg/kg (50mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   International Journal of Toxicology. Vol. 19, Pg. 363, 2000.
rabbit LDLo subcutaneous 105mg/kg (105mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 455, 1929.
rat LC50 inhalation 7551ppm/8H (7551ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
BLOOD: HEMORRHAGE		 Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rat LD50 intraperitoneal 850mg/kg (850mg/kg)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rat LD50 intravenous 1680mg/kg (1680mg/kg)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rat LD50 oral 2460mg/kg (2460mg/kg)   Union Carbide Data Sheet. Vol. 3/18/1965,
rat LD50 parenteral 1100mg/kg (1100mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
rat LD50 subcutaneous 3500mg/kg (3500mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
women TDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: COMA
CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Postgraduate Medical Journal. Vol. 73, Pg. 299, 1997.
 
Consensus Reports

Related NITRILES propionitrile, BUTYRONITRILE
Related compounds acetic acid, acetamide, ethylamine 

Safety Profile

Hazard Codes: FlammableF,IrritantXi,HarmfulXn,ToxicT
Risk Statements: 11-20/21/22-10-36/37/38-23/24/25-41 
R10: Flammable.
R11: Highly flammable. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin. 
R41: Risk of serious damage to the eyes.
Safety Statements: 16-45-36/37/39-27-26 
S16: Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27: Take off immediately all contaminated clothing. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Specification

 Acetonitrile , its cas register number is 75-05-8. It also can be called Cyanomethane and Methyl cyanide . It is produced mainly as a byproduct of acrylonitrile manufacture, and can also be produced by many other methods, but these are of no commercial importance as of 2002. Starting in October 2008, the worldwide supply of Acetonitrile (CAS NO.75-05-8) was low because Chinese production was shut down for the Olympics. In inorganic chemistry, acetonitrile is employed as a solvent and often an easily displaceable ligand. It has only a modest toxicity, but it can be metabolised to produce hydrogen cyanide (see below), which is the source of the observed toxic effects. In common with other nitriles, acetonitrile can be metabolised in microsomes, especially in the liver, to produce hydrogen cyanide, as was first shown by Pozzani et al.

Basic information

  • Product Name:

    Acetonitrile

  • CAS No:75-05-8
  • Formula:C2H3 N
  • Synonyms:Acetonitrilecluster;Cyanomethane;Ethanenitrile;Ethyl nitrile;Methane, cyano-;Methanecarbonitrile;Methyl cyanide;Methyl cyanide (MeCN);NSC 7593;
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