propanenitrile
Propionitrile
CAS: 107-12-0
Molecular Formula: C3H5N
propanenitrile - Names and Identifiers
| Name | Propionitrile |
| Synonyms | C2H5CN Ethylcyanid Ethylkyanid Propionitrile ethercyanatus propionitrile0 Ether cyanatus propanenitrile cyanured'ethyle cyanured'ethyle Hydrocyanic ether ethanecarbonitrile Propionitrile,ethylcyanide Propionitrile-ethyl cyanide |
| CAS | 107-12-0 |
| EINECS | 203-464-4 |
| InChI | InChI=1/C3H5N/c1-2-3-4/h2H2,1H3 |
propanenitrile - Physico-chemical Properties
| Molecular Formula | C3H5N |
| Molar Mass | 55.08 |
| Density | 0.772 g/mL at 25 °C (lit.) |
| Melting Point | -93 °C (lit.) |
| Boling Point | 97 °C (lit.) |
| Flash Point | 43°F |
| Water Solubility | decomposes. 5-10 g/100 mL at 23 ºC |
| Solubility | soluble in water at 40°C is 11.9 g/100 g H20; miscible with alcohol,ether, dimethylformamide |
| Vapor Presure | 53.33-63.195hPa at 22.05-25℃ |
| Exposure Limit | TLV-TWA 14 mg/m3 (6 ppm) (NIOSH). |
| Merck | 14,7827 |
| BRN | 773680 |
| Storage Condition | Flammables area |
| Stability | Stable. Flammable. Note low flash point. Incompatible with strong oxidising agents, strong bases, strong acids, strong reducing agents. |
| Refractive Index | n20/D 1.366(lit.) |
| Physical and Chemical Properties | Freezing point:-93 ℃ storage conditions: flagmab les area WGK Germany:1 RTECS:UF9625000 |
propanenitrile - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20 - Harmful by inhalation R25 - Toxic if swallowed R27 - Very Toxic in contact with skin R36 - Irritating to the eyes R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 2404 3/PG 2 |
| WGK Germany | 1 |
| RTECS | UF9625000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 39 mg/kg (Smyth) |
propanenitrile - Nature
Open Data Verified Data
A clear, colorless, flowable liquid that resembles the odor of ether. Freezing point -93 °c. Boiling point 97. The relative density was 0.772. Flash point 16.1 °c. Refractive index 3660. Soluble in water, alcohol, ether. Propionic acid is generated during hydrolysis and propylamine is generated during catalytic hydrogenation reduction. Flammable, toxic.
Last Update：2024-01-02 23:10:35
propanenitrile - Preparation Method
Open Data Verified Data
- prepared by direct catalytic hydrogenation of acrylonitrile. Acrylonitrile is hydrogenated in the gas or liquid phase in the presence of copper phosphate, rhodium and Raney nickel as catalysts to produce propionitrile.
- in the preparation of adiponitrile by electrolytic hydrogenation dipolymerization of acrylonitrile, Propionitrile is produced as a by-product while producing bis-cyanoethyl ether.
- In addition, propionitrile can be obtained by amidation of propionic acid or by the action of propionamide and phosphorus pentoxide.
Last Update：2022-01-01 10:36:45
propanenitrile - Use
Open Data Verified Data
This product is used as a raw material, solvent and resin additive for organic synthesis. A small amount of medicine used as raw materials, the main synthetic antispasmodic 2,4, 6-trihydroxyphenylacetone and sulfamethoxazole and other drugs. It is also used as a standard substance for chromatographic analysis.
Last Update：2022-01-01 10:36:44
propanenitrile - Safety
Open Data Verified Data
This product is toxic, and its toxicity is much stronger than that of hydrogen cyanide and acrylonitrile. Propionitrile, like other fatty nitriles, has an anesthetic effect on the central nervous system because it can be decomposed into hydrogen cyanide in the living body, thus stopping the respiration and oxidation of tissue cells and killing them. The oral LD50 of rats was 39mg/kg. Rabbit by subcutaneous injection LD50 is 210mg/kg. Production equipment should be closed, the operator should wear protective equipment.
This product is bottled, 150kg per barrel, canned, 14kg per can. This product is a Class I flammable liquid, stored and transported according to the hazard Code No. 61137.
Last Update：2022-01-01 10:36:45
propanenitrile - Reference Information
| freezing point | -93 ℃ |
| LogP | -0.1-0.16 |
| dissociation constant | 33.54 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used in pharmaceutical intermediates, organic synthesis, solvents and resin additives, etc. this product is used as organic synthesis raw materials, solvents and resin additives. A small amount is used as a pharmaceutical raw material, mainly synthesizing antispasmodic drugs 2,4, 6-trihydroxyphenylacetone, sulfamethoxazole and other drugs. It is also used as a standard substance for chromatographic analysis. Propylamine can be obtained by catalytic hydrogenation. It is also used as an intermediate for pesticide herbicides. |
| production method | 1. prepared by direct catalytic hydrogenation of acrylonitrile. Acrylonitrile is hydrogenated in the gas phase or liquid phase in the presence of catalysts copper phosphate, rhodium, and Raney nickel to prepare propiononitrile. 2. When acrylonitrile is prepared by electrolytic hydrogenation dipolymerization to prepare adiponitrile, propionitrile is prepared as a by-product while preparing dicyanoethyl ether. 3. It is obtained by ammoniation of propionic acid. Ammonia gas is passed into an iron pipe filled with silica gel, heated with electric heating wire, activated by ammonia at 400 ℃ for 8 hours, adjusted the ammonia gas flow rate and slowly dropped propionic acid, and entered the reaction pipeline through a preheater at 320-380 ℃, and the temperature was controlled at 380-400 ℃. The condensed flask of the generated crude propiononitrile is divided into two layers, and the upper layer is an aqueous solution of propiononitrile dissolved in 12%. The water layer is separated, a little solid potassium permanganate is added to propiononitrile, shaken well, and placed for about 4 hours. When the color does not fade, the upper liquid can be poured into another container, potassium carbonate is added for drying, and placed under agitation for 8 hours. Fractionation (magnetically filled ring in fractionation column) is carried out, and the finished product is obtained by collecting fractions at 95.8-97.5 ℃ with a yield of 59.8%. In addition, propionamide and phosphorus pentoxide can also be used to produce propionitrile. |
| category | flammable liquid |
| toxicity classification | highly toxic |
| acute toxicity | oral-rat LD50: 39 mg/kg; Oral-mouse LD50: 35.8 mg/kg |
| stimulation data | eyes-rabbit 100 mg/24 hours moderate; Skin-rabbit 5000 mg/24 hours mild |
| explosive hazard characteristics | blastable when mixed with air |
| flammability hazard characteristics | when exposed to open flames, high temperatures, oxidants are flammable, and combustion produces toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| occupational standard | TWA 6 PPM |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
