4-Chlorobenzyl cyanide
Synonym(s):4-Chlorobenzyl cyanide
- CAS NO.：140-53-4
- Empirical Formula: C8H6ClN
- Molecular Weight: 151.59
- MDL number: MFCD00001918
- EINECS: 205-418-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-13 18:13:23
What is 4-Chlorobenzyl cyanide?
Chemical properties
clear colorless to yellowish liquid after melting. Soluble in acetone and ethanol.
The Uses of 4-Chlorobenzyl cyanide
4-Chlorobenzyl cyanide is an intermediate for the preparation of 3-methyl-2-(4-chlorophenyl)butyric acid, which can be used to prepare pyrethroid insecticides such as fenvalerate and deltamethrin, and can be used in medicine Industrial preparation of pyrimethamine.
Definition
ChEBI: 4-Chlorobenzyl cyanide is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group. It is a member of monochlorobenzenes and a nitrile. It derives from an acetonitrile.
Preparation
4-Chlorobenzyl cyanide is obtained by the reaction of 4-Chlorobenzyl chloride with sodium cyanide. Add 4-Chlorobenzyl chloride and Benzyldodecyldimethylammonium bromide into the reaction pot, heat to 100°C, slowly add sodium cyanide aqueous solution, and react at 100-104°C for 5h (add sodium cyanide for 3h, keep warm for 2h). Then add water to dissolve sodium chloride, and separate the water layer to obtain the crude benzyl chloride cyanide, which is distilled under reduced pressure to collect 160 (2.66kPa) fractions to obtain the finished product of 4-Chlorobenzyl cyanide. The yield is above 81%.
Properties of 4-Chlorobenzyl cyanide
| Melting point: | 25-28 °C(lit.) |
| Boiling point: | 265-267 °C(lit.) |
| Density | 1.19 g/mL at 20 °C(lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.3g/l |
| form | Liquid After Melting |
| color | Clear colorless to yellow |
| BRN | 971171 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| CAS DataBase Reference | 140-53-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetonitrile, 4-chloro-(140-53-4) |
| EPA Substance Registry System | Benzeneacetonitrile, 4-chloro- (140-53-4) |
Safety information for 4-Chlorobenzyl cyanide
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Chlorobenzyl cyanide
| InChIKey | IVYMIRMKXZAHRV-UHFFFAOYSA-N |
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JSK Chemicals
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