Basic information
- Name:
Acetonitrile
- CAS No.:
75-05-8
- Molecular Structure:
- Formula:
- C2H3N
- Synonyms:
- Acetonitrilecluster;Cyanomethane;Ethanenitrile;Ethyl nitrile;Methane, cyano-;Methanecarbonitrile;Methyl cyanide;Methyl cyanide (MeCN);NSC 7593;
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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: 
F,
Xi,
Xn,
T
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.
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