Tetrafluoroisophthalonitrile
Tetrafluoroisophthalonitrile
CAS: 2377-81-3
Molecular Formula: C8F4N2
Tetrafluoroisophthalonitrile - Names and Identifiers
| Name | Tetrafluoroisophthalonitrile |
| Synonyms | PERFLUOROISOPHTHALONITRILE Tetrafluoroisophthalonitrile TETRAFLUOROISOPHTHALONITRILE 6-Tetrafluoroisophthalonitrile 2,4,5,6-Tetrafluoroisophthalonitrile 2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile Tetrafluoroisophthalonitrile, 1,3-Dicyanoperfluorobenzene, 2,4,5,6-Tetrafluorobenzene-1,3-dicarbonitrile |
| CAS | 2377-81-3 |
| EINECS | 623-653-9 |
| InChI | InChI=1/C8F4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 |
| InChIKey | WVHMPQKZPHOCRD-UHFFFAOYSA-N |
Tetrafluoroisophthalonitrile - Physico-chemical Properties
| Molecular Formula | C8F4N2 |
| Molar Mass | 200.09 |
| Density | 1.6184 (estimate) |
| Melting Point | 78-79°C(lit.) |
| Boling Point | 113-115 °C(Press: 10 Torr) |
| Flash Point | 79 °C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.173mmHg at 25°C |
| Appearance | Solid |
| Color | White to Light yellow |
| BRN | 6925899 |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stability |
| Refractive Index | 1.474 |
| MDL | MFCD00013290 |
Tetrafluoroisophthalonitrile - Risk and Safety
| Risk Codes | 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 | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29269095 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
Tetrafluoroisophthalonitrile - Reference Information
| application | 2,4,5,6-tetrafluoro-isophthalonitrile can be used as an intermediate in pharmaceutical synthesis, such as the preparation of vodworm, vodworm insect growth regulators, of which vodworm is the better representative. |
| preparation | in a 250 ml three-neck bottle, add 150 ml of dried sulfolane, then add 26.6g of dried chlorothalonil, under mechanical stirring, raise the temperature to 70 ℃ to completely dissolve it, quickly add 25.0g of anhydrous potassium fluoride and 0.5g of 18-crown ether -6 as phase transfer catalyst, and install a drying tube on the nozzle on the side, then control the temperature and react between 160-180 ℃ for 8 hours, cool to room temperature, filter to remove the precipitate (KF KCl), and wash with 20 ml of sulfolane for 2-3 times The above precipitate (the weight of the precipitate is about 24.9 grams) is combined with the filtrate, the filtrate is poured into 500 ml of water, magnetically stirred for 2 hours, and 17.6 grams of precipitate is obtained by suction filtration. After drying, cyclohexane is selected for recrystallization, white needle crystal was obtained, weighing about 16.4g (yield 70.7%). |
Last Update：2024-04-10 22:29:15
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