异丁腈
isobutyronitrile
CAS: 78-82-0
Molecular Formula: C4H7N
异丁腈 - Names and Identifiers
| Name | isobutyronitrile |
| Synonyms | 2-Cyanopropane isobutyronitrile isopropyl cyanide Isobutylronitrile 1-Cyano-1-methylethane 2-methyl-propanenitril 2-methylpropanenitrile 2-methyl-propanoicacinitrile Azobis (2-methylpropionitrile) |
| CAS | 78-82-0 |
| EINECS | 201-147-5 |
| InChI | InChI=1/C4H7N/c1-4(2)3-5/h4H,1-2H3 |
异丁腈 - Physico-chemical Properties
| Molecular Formula | C4H7N |
| Molar Mass | 69.11 |
| Density | 0.770 g/mL at 20 °C (lit.) |
| Melting Point | -72 °C (lit.) |
| Boling Point | 107-108 °C (lit.) |
| Flash Point | 39°F |
| Water Solubility | 35 g/L (20 ºC) |
| Solubility | slightly soluble in water and acetone, very soluble in alcohol andether |
| Vapor Presure | 100 mm Hg ( 54.4 °C) |
| Vapor Density | 2.38 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| Merck | 14,5156 |
| BRN | 1340512 |
| Storage Condition | Flammables area |
| Stability | Stable. Flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents. |
| Refractive Index | n20/D 1.372(lit.) |
| Physical and Chemical Properties | A colorless, malodorous liquid. Insoluble in water, soluble in ethanol and ether. |
| Use | Used as pesticides and Organic synthesis |
异丁腈 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S24/25 - Avoid contact with skin and eyes. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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.) S23 - Do not breathe vapour. |
| UN IDs | UN 2284 3/PG 2 |
| WGK Germany | 2 |
| RTECS | TZ4900000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Note | Highly Flammable/Toxic |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 (mg/kg): 25 i.p. in mice; 200 orally in rats (Zeller); LD50 orally in male mice: 0.3652 mmol/kg (Tanii) |
异丁腈 - Nature
Open Data Verified Data
a colorless, malodorous liquid. Boiling Point 107~108 deg C. Melting Point -72 °c. Flash point 28.7 °c (Open Cup),105 °c (closed Cup). The relative density was 0.760. Refractive index 3720. Insoluble in water, soluble in ethanol and ether.
Last Update：2024-01-02 23:10:35
异丁腈 - Preparation Method
Open Data Verified Data
isobutyronitrile can be synthesized from isobutanol and ammonia. Isobutanol and ammonia in the ratio of 1:2.5 in the presence of zinc oxide catalyst, at 410~450 ℃ temperature and atmospheric pressure, in the fixed bed tubular reactor synthesis, nitrile after water cooling, ice brine cooling, isobutanol and water two-step absorption, ammonia analysis and other processes. The conversion of isobutanol was close to 100%, the selectivity was above 90%, and the yield was above 90%. The catalyst is composed of zinc oxide and clay, and its ratio is 75:25. The service life of the catalyst is 1000 hours, and the catalyst can be used after air activation. This method has the advantages of short process flow, simple equipment, high yield and easy treatment of three wastes. It is the main method of isobutyronitrile industrial production at present. In addition, isobutyronitrile can also be obtained by amination of isobutyraldehyde.
Last Update：2022-01-01 10:36:47
异丁腈 - Use
Open Data Verified Data
This product is an intermediate of organic synthesis, mainly used in the production of the intermediate of the organic phosphorus insecticide diazinon-isobutyamidine. Additives also used in the production of acrylic resins.
Last Update：2022-01-01 10:36:46
异丁腈 - Safety
Open Data Verified Data
isobutyronitrile is a highly toxic substance, which can be rapidly absorbed through the skin and invaded into the human body through the lungs, causing serious harm. Oral ld50102 mg/kg in rats. Therefore, in the production and use of this product should wear protective gloves and glasses, in the place of isobutyronitrile vapor to wear a gas mask. This product is packed in iron drum, 150kg per barrel. This product is an organic drug, should be in accordance with the provisions of the crisis Regulation No. 84046.
Last Update：2022-01-01 10:36:47
异丁腈 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | as a key raw material for the pesticide diazinon (DIANON, diazinon), also used as pharmaceutical intermediates isobutyronitrile is an organic synthesis intermediates, mainly used in the synthesis of organophosphorus pesticide diazinon intermediate 2-isopropyl-4-methyl-6-hydroxy pyrimidine. organic synthesis intermediates, mainly used for the production of organic phosphorus insecticide diazinone intermediate-isobutyramidine. Additives also used in the production of acrylic resins. used as insecticide and organic synthesis, etc. |
| production method | isobutyronitrile can be synthesized from isobutanol and ammonia. Isobutanol and ammonia were synthesized in a fixed-bed tubular reactor in the presence of zinc oxide catalyst at a ratio of 1:2.5, at a temperature of 410-450 ℃ and atmospheric pressure, ice brine cooling, isobutanol and water two-step absorption, ammonia analysis and other processes. The conversion of isobutanol was close to 100%, the selectivity was above 90%, and the yield was above 90%. The catalyst is composed of zinc oxide and clay, and its ratio is 75:25. The service life of the catalyst is 1000H, and the catalyst can be used after air activation. This method has the advantages of short process flow, simple equipment, high yield and easy treatment of three wastes. It is the main method of isobutyronitrile industrial production at present. There are a variety of production methods: isobutylamine dehydrogenation under the catalysis of zinc sulfate; Acetone and hydrogen cyanide reaction to obtain cyanohydrin, and then after dehydration, hydrogenation reaction; Propylene and hydrogen cyanide reaction; Isobutyraldehyde and ammonia reaction, etc, all can produce isobutyronitrile. There are many methods for the synthesis of isobutyronitrile. (CH3)2CHCH2OH + NH3 [catalyst] → (CH3)2CHCN + H2O +2H2 using a fixed-bed tubular reactor, isobutanol and ammonia in the presence of zinc oxide catalyst (zinc oxide: Clay = 75: 25), the reaction temperature was 410-450 °c and the molar ratio of ammonia to isobutanol was 2.5: 1. After the reaction, isobutyronitrile was obtained by water cooling, ice brine cooling, two-step absorption of isobutanol and water, and ammonia analysis. This method has the advantages of short process flow, simple equipment, high yield and easy treatment of three wastes. In addition, isobutyronitrile is prepared by catalytic dehydrogenation of isobutylamine, catalytic dehydration of isobutyramide by heating, cyanidation of acetone, cyanidation of propylene, ammoxidation of Isobutene, ammocyanation of isobutyraldehyde, etc. |
| category | toxic substances |
| toxicity grade | highly toxic |
| Acute toxicity | oral-rat LD50: 50 mg/kg; Oral-mouse LD50: 25 mg/kg |
| stimulation data | Skin-rabbit 380 mg mild |
| flammability hazard characteristics | flammability; Toxic NOx emission from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| extinguishing agent | dry powder, foam, carbon dioxide, sand. (Acid-base extinguishing agent is not allowed). |
| Occupational Standard | TWA 8 PPM |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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