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3-Chloro-5-fluorophenylacetonitrile

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3-Chloro-5-fluorophenylacetonitrile Basic information
Product Name:3-Chloro-5-fluorophenylacetonitrile
Synonyms:3-CHLORO-5-FLUOROBENZYL CYANIDE;SALOR-INT L301035-1EA;3-Chloro-5-fluorophenyl acetonitrile,98%;3-Chloro-5-fluorophenylacetoni;2-(3-Chloro-5-fluorophenyl)acetonitrile;Benzeneacetonitrile, 3-chloro-5-fluoro-;3-Chloro-5-fluorophenylacetonitrile,97%;3-Chloro-5-fluorobenzeneacetonitrile
CAS:493038-93-0
MF:C8H5ClFN
MW:169.58
EINECS:
Product Categories:Fluorine series;Nitrile
Mol File:493038-93-0.mol
3-Chloro-5-fluorophenylacetonitrile Structure
3-Chloro-5-fluorophenylacetonitrile Chemical Properties
Boiling point 244.7±25.0 °C(Predicted)
density 1.286±0.06 g/cm3(Predicted)
refractive index 1.523-1.525
storage temp. Sealed in dry,Room Temperature
form clear liquid
color Colorless to Light yellow to Light orange
Water Solubility Not miscible or difficult to mix with water.
Safety Information
Hazard Codes Xn,T
Risk Statements 36/37/38-20/21/22-36/37/39
Safety Statements 36/37/39-26
RIDADR UN 3276 6.1/PG III
Hazard Note Toxic
HazardClass 6.1
PackingGroup III
HS Code 2926907090
MSDS Information
ProviderLanguage
ACROS English
3-Chloro-5-fluorophenylacetonitrile Usage And Synthesis
Chemical Propertiesclear yellow liquid
UsesIt is employed as a intermediates for pharmaceutical.
Synthesis
sodium:cyanide

773837-37-9

3-CHLORO-5-FLUOROBENZYL BROMIDE

493024-39-8

3-CHLORO-5-FLUOROPHENYLACETONITRILE

493038-93-0

3-Chloro-5-fluorobenzyl bromide (58.23 g, 260 mmol) and acetic acid (5.35 mL, 93.6 mmol) were dissolved in toluene (260 mL). Aqueous sodium cyanide (195 mL, 48.57 g, 990 mmol) and tributylbenzyl ammonium chloride (5.68 g, 18.2 mmol) were added slowly and dropwise with stirring. The reaction mixture was stirred continuously at room temperature for 4 hours. After completion of the reaction, the organic layer was separated and washed sequentially with deionized water (200 mL) and saturated sodium chloride solution (200 mL). The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product obtained was purified by basic silica gel column chromatography using hexane-ethyl acetate (4:1, v/v) as eluent to give 3-chloro-5-fluorophenylacetonitrile (44.89 g, 100% yield) as a brown oil. The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3): δ 3.74 (2H, s), 6.99 (1H, d, J = 8.7 Hz), 7.05-7.13 (1H, m), 7.15 (1H, s).

References[1] Patent: EP2530078, 2012, A1. Location in patent: Page/Page column 118
3-Chloro-5-fluorophenylacetonitrile Preparation Products And Raw materials
Raw materialssodium:cyanide-->3-Chloro-5-fluorobenzyl bromide-->Acetic acid-->Toluene-->Benzyltributylammonium chloride
Tag:3-Chloro-5-fluorophenylacetonitrile(493038-93-0) Related Product Information
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