| Customization: | Available |
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| CAS No.: | 140-53-4 |
| Formula: | C8h6cln |
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The molecular formula of p-chlorobenzene acetonitrile is C8H6ClN, the molecular weight is 151.59, referred to as PCCN, and it is generally a colorless to light yellow solid. The compound is stable at room temperature and pressure, insoluble in water, soluble in acetone, ethanol, benzene, , and is widely used as an intermediate in the synthetic industry and medicine . According to the classification of dangerous goods, p-chlorobenzene acetonitrile is a highly toxic compound, which is highly irritating to the skin and eyes and has a tear-inducing effect. When it splashes on the skin, it can be rinsed with an appropriate amount of ethanol for emergency treatment.
Uses
Parachlorophenylacetonitrile is an important intermediate in the synthetic industry and medicine. The following are some representative examples:
(1) Using parachlorophenylacetonitrile as the raw material, parachlorophenylacetic acid is obtained by alkaline hydrolysis with 30% NaOH, and then bromination with NBS and microwave-assisted alkaline hydrolysis with Na2CO3 to obtain 4-chloro-α-hydroxy-phenylacetic acid. The total yield of the product is 65.1% and the purity is 97.5%. This route avoids the use of highly toxic the production of by-product parachlorobenzoic acid. It has the advantages of easy raw material availability, simple processing and high product purity .
(2) 2,6-Dichloro-α-(4-chlorophenyl)-4-nitrobenzene acetonitrile can be prepared by condensation of 3,5-dichloro-4-fluoronitrobenzene with parachlorophenylacetonitrile. The raw material 3,5-dichloro-4-fluoronitrobenzene used in this process comes from the distillation residue of the production process of nitration of 2,6-dichlorofluorobenzene to prepare 2,4-dichloro-3-fluoronitrobenzene. The residue contains 83.5% to 88.2% of 3,5-dichloro-4-fluoronitrobenzene and 9.0% to 13.3% of 2,4-dichloro-3-fluoronitrobenzene. After selective solvent extraction and one or two recrystallizations, 3,5-dichloro-4-fluoronitrobenzene with a content of more than 98% is obtained, which is then condensed with p-chlorophenylacetonitrile to obtain 2,6-dichloro-α-(4-chlorophenyl)-4-nitrobenzeneacetonitrile with a yield of more than 98%. Compared with the existing method for preparing 2,6-dichloro-α-(4-chlorophenyl)-4-nitrobenzeneacetonitrile, the method of the present invention has the advantages of cheap and easy-to-obtain raw materials, full utilization of resources, mild conditions, high yield, and less wastewater discharge, and is more suitable for industrial production .
| Density | 1.2±0.1 g/cm3 |
| Boiling point | 266.0±0.0 °C at 760 mmHg |
| Melting point | 25-28 °C(lit.) |
| Molecular formula | C8H6ClN |
| Molecular weight | 151.59 |
| Flash point | 107.7±15.4 °C |
| Exact mass | 151.018875 |
| PSA | 23.79 |
| LogP | 2.04 |
| Appearance | Colorless to yellow crystalline powder |
| Vapor pressure | 0.0±0.5 mmHg at 25°C |
| Refractive index | 1.549 |
| Storage conditions | Keep sealed in a dry and cool place. Packed in iron or plastic barrels. Store and transport according to the regulations for highly toxic and dangerous goods. |
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