Phenylacetonitrile
Phenylacetonitrile
CAS: 140-29-4
Molecular Formula: C8H7N
Phenylacetonitrile - Names and Identifiers
| Name | Phenylacetonitrile |
| Synonyms | Benzyl cyanide α-benzyl cyanide Alpha-tolunitrile omega-cyanotoluene Phenylacetonitrile alpha-cyanotoluene Benzeneacetonitrile 2-phenylacetonitrile Phenyl acetyl nitrile Phenylacetonitrile,liquid |
| CAS | 140-29-4 |
| EINECS | 205-410-5 |
| InChI | InChI=1/C6H6.C2H3N/c1-2-4-6-5-3-1;1-2-3/h1-6H;1H3 |
Phenylacetonitrile - Physico-chemical Properties
| Molecular Formula | C8H7N |
| Molar Mass | 117.15 |
| Melting Point | -24℃ |
| Boling Point | 214°C at 760 mmHg |
| Flash Point | 91.5°C |
| Water Solubility | insoluble. <0.1 g/100 mL at 17℃ |
| Vapor Presure | 0.159mmHg at 25°C |
| Physical and Chemical Properties | character colorless oily liquid. Aromatic odor. |
| Use | Mainly used as intermediates in pharmaceuticals, pesticides, dyes and fragrances |
Phenylacetonitrile - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S23 - Do not breathe vapour. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2470 |
Phenylacetonitrile - Upstream Downstream Industry
| Raw Materials | Dimethylamine Benzyl Chloride Sodium cyanide |
| Downstream Products | Propiophenone Methyl phenylacetate Phoxim alprazolam |
Phenylacetonitrile - Toxicity protection
[protective measures]
toxic. There is a special smell. Stimulate the eyes and skin, can produce hydrocyanic acid in the body.
Last Update：2024-04-10 22:29:15
Phenylacetonitrile - Packaging, storage and transportation
[routine]
packed in iron drums with a net weight of 100kg per barrel. Place in a cool, dry place. Storage and transportation according to the provisions of toxic chemicals.
Last Update：2024-04-10 22:29:15
Phenylacetonitrile - Security data
[dangerous goods mark]
T ,T
[hazard category code]
R22-R24-R26-R23/24/25
[safety instructions]
S28-S36/37-S45-S23
[Dangerous Goods Transport Number]
UN 2470 6.1/PG 3
[WGK Germany]
3
[RTECS]
AM1400000
[RTECS No.]
AM1400000
[f]
8-9
[auto-ignition temperature]
590 °C
[Hazard Note]
Very Toxic
[TSCA]
Yes
[HazardClass]
6.1( B )
[hazard level]
6.1( B )
[PackingGroup]
III
[packaging category]
III
[customs code]
29269090
[customs code]
29269090
[toxic substance data]
140-29-4(Hazardous Substances Data)
[toxicity]
LD50 orally in Rabbit: 270 mg/kg LD50 dermal Rabbit 270 mg/kg
Last Update：2024-04-10 22:29:15
Phenylacetonitrile - Preparation method
[method 1]
The preparation method is made by condensation of benzyl chloride and sodium cyanide. Generally, ethanol is used as the solvent, which is carried out under heating and reflux, or water can be used as the medium, and a phase transfer catalyst is added. The reaction temperature is 80~100 ℃. After the reaction, it is separated from the solvent and then rectified to obtain the finished product.
[method 2]
It is obtained by the reaction of benzyl chloride and sodium cyanide. The reaction is carried out in an alcohol solvent with dimethylamine as a catalyst. The reaction temperature is 80-100 ℃. After the reaction to obtain crude phenylacetonitrile, the finished product is obtained by vacuum distillation. The purity of refined products can reach 99% and the yield is about 90%. Raw material consumption quota: benzyl chloride (96%)1270 kg/t, sodium cyanide 490 kg/t, ethanol (95%)544 kg/t, dimethylamine (30%)17 kg/t.
Last Update：2024-04-10 22:29:15
Phenylacetonitrile - Safety characteristics, toxicity, storage and transportation
| [Storage and transportation characteristics] The warehouse is ventilated and dry at low temperature; it is stored separately from oxidants, acids, and food additives |
|
| [stimulus data] Skin-rabbit 500 mg/24 hours mild |
|
| [Toxicity Classification] Highly toxic |
|
| [Acute toxicity] Oral-rat LD50: 270 mg/kg; Oral-mouse LD50:45.5 mg/kg |
|
| [flammability hazard characteristics] Open flame is combustible; combustion produces toxic nitrogen oxide smoke |
|
| [Category] Toxic substances |
|
| [Fire extinguishing agent] Dry powder, foam, carbon dioxide, sand. Disable acid-base fire extinguishing agent. |
|
| [Professional Standard] STEL 0.8 mg/m3 |
Last Update：2024-04-09 19:04:54
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Raw Materials for Phenylacetonitrile
Downstream Products for Phenylacetonitrile