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Name |
Lactonitrile |
EINECS | 201-163-2 |
CAS No. | 78-97-7 | Density | 0.991 |
PSA | 44.02000 | LogP | -0.10922 |
Solubility | N/A | Melting Point |
-40.15°C |
Formula | C3H5 N O | Boiling Point | 90 ºC (17 mmHg) |
Molecular Weight | 71.0788 | Flash Point | 77 °C |
Transport Information | UN 3276 | Appearance | Straw colored liquid. |
Safety | Poison by ingestion, skin contact, and subcutaneous routes. Moderately toxic by inhalation. In the presence of alkali, it evolves HCN. Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of CN− and NOx. See also NITRILES. | Risk Codes | R23/25;R27 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Lactonitrile(6CI,7CI,8CI); (?à)-2-Hydroxypropanenitrile;(?à)-2-Hydroxypropionitrile;2-Hydroxypropanenitrile; 2-Hydroxypropionitrile; Acetaldehyde, cyanohydrin;Acetocyanohydrin; NSC 7764; a-Hydroxypropionitrile |
Article Data | 66 |
Conditions | Yield |
---|---|
With triethylamine at 5 - 10℃; Product distribution / selectivity; | 99% |
With triethylamine at 0 - 10℃; pH=2 - 3; | 99.54% |
With sodium acetate; acetic acid; 2-hydroxy-propionitrile |
Conditions | Yield |
---|---|
With sodium hydrogensulfite In water at 0℃; for 2h; | 80% |
With acetic acid In diethyl ether; water | 22% |
2-[(tert-butyldimethylsilyl)oxy]propanenitrile
2-hydroxy-propionitrile
Conditions | Yield |
---|---|
With P(MeNCH2CH2)3N In dimethyl sulfoxide at 80℃; for 19h; desilylation; | 80% |
Conditions | Yield |
---|---|
With ytterbium(III) chloride; 2,6-bis[4′-isopropyloxazolin-2′-yl]pyridine In acetonitrile for 2h; Ambient temperature; | 61% |
With hydrogenchloride |
Conditions | Yield |
---|---|
With tetrachloromethane; copper(II) choride dihydrate; chromium(III) acetylacetonate; water at 110℃; for 6h; Sealed tube; | 46% |
With acetic acid; lithium iodide In [D3]acetonitrile at 20℃; for 3h; Irradiation; Inert atmosphere; |
Conditions | Yield |
---|---|
at 25 - 30℃; |
hydrogen cyanide
chloroform
acetaldehyde
Quinine
2-hydroxy-propionitrile
Conditions | Yield |
---|---|
at 25℃; |
Conditions | Yield |
---|---|
With ammonium chloride In diethyl ether | |
With Dowex-H+ In water for 24h; Ambient temperature; |
1,5-dimethylimidazolidine-2,4-dione
A
methylaminopropionitrile
B
α-methylaminodipropionitrile
D
2-hydroxy-propionitrile
Conditions | Yield |
---|---|
With sodium hydrogencarbonate at 30℃; Equilibrium constant; K as a function of pH and concentration of carbonate, borate, phosphate and ammonia; |
IUPAC Name: 2-Hydroxypropanenitrile
CAS: 78-97-7
EINECS: 201-163-2
Following is the Molecular Structure of Lactonitrile (78-97-7):
SMILES: N#CC(C)O
Molecular Formula: C3H5NO
Molecular Weight: 71.08
Melting Point:<21℃
Boiling Point: 183.4℃ at 760mmHg
Flash Point: 64.7℃
Molar Volume: 69.3cm3
Density: 1.025g/cm3
Molar Refractivity: 17.35cm3
Surface Tension: 39.6dyne/cm
Polarizability: 6.87 10-24cm3
Enthalpy of Vaporization: 48.84kJ/mol
Vapour Pressure: 0.222mmHg at 25℃
Refractive Index: n20/D 1.404
Solvent, intermediate in production of Ethyl acetate and Lactic acid .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
frog | LDLo | subcutaneous | 300mg/kg (300mg/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. |
mouse | LD50 | intraperitoneal | 15mg/kg (15mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toxicology and Applied Pharmacology. Vol. 84, Pg. 533, 1986. |
rabbit | LD50 | skin | 20uL/kg (0.02mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rabbit | LDLo | subcutaneous | 5200ug/kg (5.2mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. |
rat | LCLo | inhalation | 125ppm/4H (125ppm) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LD50 | oral | 87mg/kg (87mg/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |
EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
Hazard Codes: T+ Very toxic, T Toxic.
Risk Statements: 23/25-27-25-20
R23/25: Toxic by inhalation and if swallowed.
R27: Very Toxic in contact with skin.
R25: Toxic if swallowed.
R20: Harmful by inhalation.
Safety Statements: 13-36/37/39-45-23
S13: Keep away from food, drink and animal feeding stuffs.
S36/27/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
S23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
RIDADR: UN 3276 6.1/PG 1
WGK: Germany 3
RTECS: OD8225000
HazardClass: 6.1(a)
PackingGroup: II
Poison by ingestion, skin contact, and subcutaneous routes. Moderately toxic by inhalation. In the presence of alkali, it evolves HCN .Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2 , dry chemical.
Lactonitrile (78-97-7),which also can be called for 2-Hydroxypropanenitrile ; 2-Hydroxypropannitril ; 2-Hydroxypropannitril ; 2-Hydroxypropionitrile ; Acetaldehyde ; Cyanohydrin ; Acetocyanohydrin ; Ethylidene cyanohydrin ; Lactonitrile ; Laktonitril ; Laktonitril ; Propanenitrile,2-hydroxy- ; Propionitrile,2-hydroxy- ; Alpha-hydroxypropionitrile . Lactonitrile (78-97-7) is a straw colored liquid and it's very soluble in water.When heated to decomposition it emits toxic fumes of CN− and NOx .This chemical should be stored in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.