876-31-3
4-Cyanomethylbenzonitrile
CAS: 876-31-3
Molecular Formula: C9H6N2
876-31-3 - Names and Identifiers
| Name | 4-Cyanomethylbenzonitrile |
| Synonyms | p-Cyanobenzylcyanide alpha,4-Dicyanotoluene p-Cyanophenylacetonitrile alpha-Cyano-p-tolunitrile 4-Cyanomethylbenzonitrile 4-Cyanobenzeneacetonitrile p-Tolunitrile, alpha-cyano- 4-CYANOPHENYLACETONITRILE 97 Benzeneacetonitrile, 4-cyano- |
| CAS | 876-31-3 |
| InChI | InChI=1/C9H6N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5H2 |
876-31-3 - Physico-chemical Properties
| Molecular Formula | C9H6N2 |
| Molar Mass | 142.16 |
| Density | 1.056 |
| Melting Point | 100-104 °C (lit.) |
| Boling Point | 180-181℃ |
| Flash Point | 71°(160°F) |
| Vapor Presure | 0.000479mmHg at 25°C |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.499 |
| MDL | MFCD00060305 |
876-31-3 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29269090 |
876-31-3 - Introduction
4-Cyanomethylbenzonitrile, also known as 4-Cyanomethylbenzonitrile, chemical formula C9H7N, is an organic compound.
Nature:
4-Cyanomethylbenzontrile is a white to light yellow crystal with a special aromatic odor. It has a melting point of about 98°C and a boiling point of about 291°C. It is a solid at normal temperature, soluble in organic solvents such as ethanol and dimethylmethanol, and slightly soluble in water. The compound has certain toxicity.
Use:
4-Cyanomethylbenzonitrile can be used as reaction intermediates in organic synthesis, and is widely used in the fields of medicine and pesticide manufacturing. It can be used in medicinal chemistry for the synthesis of compounds similar to antiepileptic drugs, and in the field of pesticides for the manufacture of insecticides and fungicides.
Preparation Method:
4-Cyanomethylbenzonitrile can be prepared by the condensation reaction of benzyl alcohol with chloroacetonitrile under alkaline conditions. First of all, the reaction of benzyl alcohol and chloroacetonitrile, under the action of alkaline catalyst, the formation of 4-Cyanomethylbenzonitrile.
Safety Information:
4-Cyanomethylbenzonitrile has certain toxicity, contact or inhalation of the substance may cause harm to health. Appropriate protective measures should be taken, such as wearing protective gloves, eye and respiratory protective equipment. Avoid dust or haze during use, and ensure that the operation is carried out in a well-ventilated area. If exposed or inhaled, seek medical attention immediately.
Nature:
4-Cyanomethylbenzontrile is a white to light yellow crystal with a special aromatic odor. It has a melting point of about 98°C and a boiling point of about 291°C. It is a solid at normal temperature, soluble in organic solvents such as ethanol and dimethylmethanol, and slightly soluble in water. The compound has certain toxicity.
Use:
4-Cyanomethylbenzonitrile can be used as reaction intermediates in organic synthesis, and is widely used in the fields of medicine and pesticide manufacturing. It can be used in medicinal chemistry for the synthesis of compounds similar to antiepileptic drugs, and in the field of pesticides for the manufacture of insecticides and fungicides.
Preparation Method:
4-Cyanomethylbenzonitrile can be prepared by the condensation reaction of benzyl alcohol with chloroacetonitrile under alkaline conditions. First of all, the reaction of benzyl alcohol and chloroacetonitrile, under the action of alkaline catalyst, the formation of 4-Cyanomethylbenzonitrile.
Safety Information:
4-Cyanomethylbenzonitrile has certain toxicity, contact or inhalation of the substance may cause harm to health. Appropriate protective measures should be taken, such as wearing protective gloves, eye and respiratory protective equipment. Avoid dust or haze during use, and ensure that the operation is carried out in a well-ventilated area. If exposed or inhaled, seek medical attention immediately.
Last Update：2024-04-09 02:00:49
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