1-Cyano-4-ethynylbenzene
4-Ethynylbenzonitrile
CAS: 3032-92-6
Molecular Formula: C9H5N
1-Cyano-4-ethynylbenzene - Names and Identifiers
| Name | 4-Ethynylbenzonitrile |
| Synonyms | (4-Cyanophenyl)ethyne 4-Ethynylbenzonitrile 4-Cyanophenylacetylene Benzonitrile, 4-ethynyl- 1-Cyano-4-ethynylbenzene 4-ETHYNYLBENZONITRILE 97 Benzonitrile, 4-ethynyl- (9CI) |
| CAS | 3032-92-6 |
| InChI | InChI=1/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H |
1-Cyano-4-ethynylbenzene - Physico-chemical Properties
| Molecular Formula | C9H5N |
| Molar Mass | 127.14 |
| Density | 1.037 g/mL at 25 °C(lit.) |
| Melting Point | 156-160°C(lit.) |
| Boling Point | 230.2±23.0 °C(Predicted) |
| Flash Point | >110 °C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.0666mmHg at 25°C |
| Appearance | Crystallization |
| Color | Pale yellow |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.566 |
| MDL | MFCD04974058 |
1-Cyano-4-ethynylbenzene - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
1-Cyano-4-ethynylbenzene - Introduction
4-Ethynylbenzonitrile is an organic compound with the chemical formula C9H5N. It is a colorless to pale yellow solid, stable at room temperature.
Regarding the properties, 4-ethynylbenzontrile has a high melting point and boiling point, and is soluble in organic solvents such as ethanol, dimethylformamide and dichloromethane. It is stable in air but decomposes at high temperatures. It is also a less toxic compound.
This compound is widely used. Because it contains a benzene ring, it can be used as an important intermediate in organic synthesis. It can be used to synthesize other organic compounds, such as aromatic esters, ethers, aldehydes and ketones. In addition, due to its unique molecular structure, 4-Ethynylbenzonitrile can also be used in the field of material science, such as liquid crystal materials, optical materials, etc.
The preparation of 4-Ethynylbenzonitrile requires the reaction of 4-ethynylphenylboronic acid with copper (II) chloride in chloroform to obtain the desired product.
Regarding safety information, 4-ethynylbenzontril is a low-toxic compound, but it is still necessary to pay attention to correct operation and avoid skin contact and inhalation. Wear appropriate protective equipment such as gloves and goggles during use. In addition, it should be stored in a closed container as far as possible, away from fire and oxidizing agents. If the compound is accidentally touched or ingested, seek medical attention immediately.
Regarding the properties, 4-ethynylbenzontrile has a high melting point and boiling point, and is soluble in organic solvents such as ethanol, dimethylformamide and dichloromethane. It is stable in air but decomposes at high temperatures. It is also a less toxic compound.
This compound is widely used. Because it contains a benzene ring, it can be used as an important intermediate in organic synthesis. It can be used to synthesize other organic compounds, such as aromatic esters, ethers, aldehydes and ketones. In addition, due to its unique molecular structure, 4-Ethynylbenzonitrile can also be used in the field of material science, such as liquid crystal materials, optical materials, etc.
The preparation of 4-Ethynylbenzonitrile requires the reaction of 4-ethynylphenylboronic acid with copper (II) chloride in chloroform to obtain the desired product.
Regarding safety information, 4-ethynylbenzontril is a low-toxic compound, but it is still necessary to pay attention to correct operation and avoid skin contact and inhalation. Wear appropriate protective equipment such as gloves and goggles during use. In addition, it should be stored in a closed container as far as possible, away from fire and oxidizing agents. If the compound is accidentally touched or ingested, seek medical attention immediately.
Last Update：2024-04-10 22:29:15
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