3,5-difluoronicotinonitrile
2-Cyano-3,5-difluoropyridine
CAS: 298709-29-2
Molecular Formula: C6H2F2N2
3,5-difluoronicotinonitrile - Names and Identifiers
| Name | 2-Cyano-3,5-difluoropyridine |
| Synonyms | 3,5-Difluoropicolinitrile 3,5-difluoropicolinonitrile 3,5-DIFLURO-2-CYANOPYRIDINE 2-Cyano-3,5-difluorpyridine 3,5-difluoronicotinonitrile 3,5-Difluoro-2-cyanopyridine 2-Cyano-3,5-difluoropyridine 3,5-Difluoropyridine-2-carbonitrile 3,5-DIFLUORO-2-PYRIDINECARBONITRILE 3,5-Difluoro-2-pyridinecarbonitrile 2-Pyridinecarbonitrile, 3,5-difluoro- 2-Pyridinecarbonitrile,3,5-difluoro-(9CI) 2-Cyano-3,5-difluoropyridine, 3,5-Difluoropicolinonitrile |
| CAS | 298709-29-2 |
| EINECS | 678-766-6 |
| InChI | InChI=1/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H |
| InChIKey | WLBIFECTHKFYKV-UHFFFAOYSA-N |
3,5-difluoronicotinonitrile - Physico-chemical Properties
| Molecular Formula | C6H2F2N2 |
| Molar Mass | 140.09 |
| Density | 1.36±0.1 g/cm3(Predicted) |
| Melting Point | 32-34°C |
| Boling Point | 187.8±35.0 °C(Predicted) |
| Flash Point | 90℃ |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.618mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Orange to Green |
| pKa | -5.16±0.20(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.483 |
3,5-difluoronicotinonitrile - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/38 - Irritating to eyes and skin. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S39 - Wear eye / face protection. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| Hazard Note | Harmful/Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
3,5-difluoronicotinonitrile - Reference Information
| Introduction | 2-cyano -3, 5-difluoropyridine is a low melting point solid at room temperature and pressure. It is a pyridine derivative. The unshared electron pair on the nitrogen atom can accept protons and become alkaline. It can be used as a denature agent and dyeing aid in industry, and the raw materials for synthesizing a series of products (including drugs, disinfectants, dyes, etc.). |
| use | 2-cyanide -3, 5-difluoropyridine can be used to make vitamins, sulfonamides, pesticides and plastics. In the synthetic transformation, the cyano unit in the structure can be easily converted into amino or amide groups. In addition, the compound can also introduce an iodine unit at the fourth position of pyridine under alkaline conditions. The nitrogen atom on pyridine can become nitrogen oxide under oxidation conditions. |
| synthesis method | add [CuI (bisimine-CN)] (10 mol%), sodium cyanide (1.4 equiv) and (if solid) aryl halide (1 equiv,0.3 mmol) to the dried quartz tube. equipped with a stirring rod in a glove box filled with Ar, cover the quartz tube with a diaphragm, and add acetonitrile solvent (1.2 mL) through a syringe, take it out of the glove box and seal the reaction tube again with black vinyl electrical tape, stir the resulting mixture and irradiate it with light at room temperature for 24 hours, transfer to a round bottom flask using acetone or dichloromethane, and concentrate the reaction mixture under reduced pressure, the residue was purified by column chromatography using a mixture of hexane/ethyl acetate, pentane/ether or CH2Cl2/methanol to yield 2-cyano-3, 5-difluoropyridine. Fig. 2-synthesis route of cyanide -3, 5-difluoropyridine |
Last Update：2024-04-09 20:45:29
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