n-Butyl cyanide
Valeronitrile
CAS: 110-59-8
Molecular Formula: C5H9N
n-Butyl cyanide - Names and Identifiers
| Name | Valeronitrile |
| Synonyms | NITRILE C5 PENTANITRILE Valeronitrile VALERONITRILE BUTYL CYANIDE PENTANONITRILE Pentanenitrile n-Butyl cyanide N-BUTYL CYANIDE PENTANE NITRILE N-VALERONITRILE |
| CAS | 110-59-8 |
| EINECS | 203-781-8 |
| InChI | InChI=1/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3 |
| InChIKey | RFFFKMOABOFIDF-UHFFFAOYSA-N |
n-Butyl cyanide - Physico-chemical Properties
| Molecular Formula | C5H9N |
| Molar Mass | 83.13 |
| Density | 0.795g/mLat 25°C(lit.) |
| Melting Point | −96°C(lit.) |
| Boling Point | 139-141°C(lit.) |
| Flash Point | 105°F |
| Water Solubility | 0.1-0.5 g/100 mL at 22.5 ºC |
| Solubility | 10.0g/l |
| Vapor Presure | 7.0 hPa (20 °C) |
| Appearance | Liquid |
| Color | Clear colorless |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| Merck | 14,9905 |
| BRN | 1736706 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. Flammable. |
| Refractive Index | n20/D 1.397(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. melting point -96.2 ℃ boiling point 141.3 ℃ relative density 0.8014 refractive index 1.3973 flash point 40 ℃ solubility insoluble in water, it is miscible with ethanol and ether. |
| Use | Used as pesticide intermediates, extractants, organic synthesis intermediates |
n-Butyl cyanide - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R10 - Flammable R25 - Toxic if swallowed R2017/10/25 - |
| Safety Description | 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.) S16 - Keep away from sources of ignition. |
| UN IDs | UN 1992 3/PG 3 |
| WGK Germany | 3 |
| RTECS | YV8195000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in male mice: 2.297 mmol/kg (Tanii) |
n-Butyl cyanide - Upstream Downstream Industry
| Raw Materials | N-Valeric Acid |
n-Butyl cyanide - Nature
Open Data Verified Data
colorless liquid. Melting Point -96.2 °c. Boiling point 141.3 °c. Relative density 0.8014. Refractive index 3973. Flash point 40 °c. Insoluble in water, miscible with ethanol and ether. It can burn when exposed to open fire. Toxic.
Last Update：2024-01-02 23:10:35
n-Butyl cyanide - Preparation Method
Open Data Verified Data
prepared by the interaction of bromobutane with sodium cyanide. The sodium cyanide is heated and dissolved in a water bath, and then a certain amount of 95% industrial ethanol and bromobutane are added to reflux for 25-30 hours, cooled to normal temperature, and sodium bromide is filtered off, the filtrate was fractionated using a high efficiency fractionation column. Steam at 78-85 °c
The alcohol was removed, the 85-140 °c fraction was collected, and the fraction was treated with ammonium chloride to separate it into two layers, and the upper liquid was fractionated again, and the 138-141 °c fraction was collected as the finished product.
Last Update：2022-01-01 10:36:49
n-Butyl cyanide - Use
Open Data Verified Data
It is used as a raw material for organic synthesis and also for the extraction of benzene from mixtures of benzene and cyclohexane.
Last Update：2022-01-01 10:36:48
n-Butyl cyanide - Safety
Open Data Verified Data
- This product is toxic. Mice were injected subcutaneously with LD50 524 mg/kg. Production and operation sites should be strictly prevented from running and dripping of equipment. If the vapor of this product is accidentally inhaled, the patient should leave the site quickly, rest and keep warm. The patient should be flushed with water for eye irritation. Skin contact with this product, should first rinse with water, then wash thoroughly with soap. In case of fire, apply foam, carbon dioxide, dry powder and sand.
- This product is filled in glass bottles and packed in wooden boxes lined with non-combustible materials. It can also be packed in iron barrels. Store in a cool, ventilated warehouse. Keep away from fire and heat source. With oxidants, acids, edible raw materials Isolation of the storage and transport. During handling, the container should be light loaded and unloaded to prevent damage.
Last Update：2022-01-01 10:36:49
n-Butyl cyanide - 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 | is used as a raw material for organic synthesis and also as an extractant to extract benzene from benzene and cyclohexane. used as pesticide intermediates, extractants, organic synthesis intermediates |
| production method | prepared from butyl bromide and sodium cyanide. The sodium cyanide is heated and dissolved in a water bath, and then a certain amount of 95% industrial ethanol and bromobutane are added to reflux for 25-30H, cooled to normal temperature, the sodium bromide is filtered off, and the filtrate is fractionated by a high-efficiency fractionation column. The alcohol was distilled off at 78-85 °c and the 85-140 °c fraction was collected and treated with ammonium chloride to separate the fraction into two layers. The upper liquid was fractionated again and the 138-141 °c fraction was collected as the finished product. Raw material consumption quota: bromobutane 2050kg/t, sodium cyanide 900kg/t, alcohol (95%)2050kg/t. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-mouse LD50: 191 mg/kg |
| flammability hazard characteristics | open flame 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. |
| autoignition temperature | 520°C |
Last Update：2024-04-09 20:52:54
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Raw Materials for n-Butyl cyanide