2-FLUOROBENZYL CYANIDE
2-Fluorophenylacetonitrile
CAS: 326-62-5
Molecular Formula: C8H6FN
2-FLUOROBENZYL CYANIDE - Names and Identifiers
| Name | 2-Fluorophenylacetonitrile |
| Synonyms | 2-Fluorobenzyl Cyanide o-Fluorobenzyl cyanide 2-FLUOROBENZYL CYANIDE O-FLUOROPHENYLACETONITRILE 2-Fluorophdnylacetonitrile Ortho-Fluorobenzyl cyanide 2-Fluorophenylacetonitrile 2-FLUOROPHENYLACETONITRILE 2-fluoro-benzeneacetonitril 2-fluoro-benzeneacetonitrile Acetonitrile, (o-fluorophenyl)- |
| CAS | 326-62-5 |
| EINECS | 206-313-0 |
| InChI | InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2 |
2-FLUOROBENZYL CYANIDE - Physico-chemical Properties
| Molecular Formula | C8H6FN |
| Molar Mass | 135.14 |
| Density | 1.059 g/mL at 25 °C (lit.) |
| Boling Point | 114-117 °C/20 mmHg (lit.) |
| Flash Point | 110°F |
| Vapor Presure | 0.0822mmHg at 25°C |
| Appearance | clear liquid |
| Specific Gravity | 1.14 |
| Color | Colorless to Red to Green |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 1862361 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.5009(lit.) |
| MDL | MFCD00001897 |
| Physical and Chemical Properties | Density: 1.059 Boiling Point: 114-117 ° C. (20 torr) refractive index: 5019 flash point: 43 ° C. |
2-FLUOROBENZYL CYANIDE - Risk and Safety
| Risk Codes | R10 - Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29269090 |
| Hazard Note | Toxic |
| Hazard Class | 6.1 |
| Packing Group | III |
2-FLUOROBENZYL CYANIDE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Introduction | 2-fluorophenylacetonitrile is an organic intermediate, which can be obtained by the reaction of o-fluorobenzyl bromide and sodium cyanide. 2-fluorophenyl acetonitrile is an intermediate of prasugrel (Prasugrel). Prasugrel is an oral antiplatelet drug jointly developed by Eli Lilly and its partner, the first pharmaceutical company, the three companies. It was approved for listing in the European Union on February 27, 2009. |
| preparation | 189g of o-fluorobenzyl bromide (1mol) is dissolved in a solution composed of 500mL toluene and 500mL of water, 58.8g of sodium cyanide (1.2mol) is added, after stirring and dissolving, 7.4g of tetrabutylammonium bromide (0.02mol) is added to form a reaction system, and the reaction system is heated to 55 ℃ and stirred for 10 hours, thin layer chromatography (TLC) showed that the raw materials were completely reacted. The reaction system was left to stand and stratified. The organic layer was dried and concentrated to obtain a crude product. The obtained crude product was rectified under reduced pressure to obtain 115g of white liquid, namely 2-fluorophenylacetonitrile, with a 85% yield. |
| use | as an intermediate in medicine and pesticide |
Last Update：2024-04-10 22:41:03
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