1835-49-0
2,3,5,6-Tetrafluoroterephthalonitrile
CAS: 1835-49-0
Molecular Formula: C8F4N2
1835-49-0 - Names and Identifiers
1835-49-0 - Physico-chemical Properties
| Molecular Formula | C8F4N2 |
| Molar Mass | 200.09 |
| Density | 1.6184 (estimate) |
| Melting Point | 197-199 °C (lit.) |
| Boling Point | 243.3±40.0 °C(Predicted) |
| Flash Point | 100.9°C |
| Solubility | Soluble in hot methanol. |
| Vapor Presure | 0.0324mmHg at 25°C |
| Appearance | Solid |
| Color | White to Light yellow |
| Storage Condition | 2-8°C |
| Refractive Index | 1.474 |
| Physical and Chemical Properties | white or off-white crystalline solid |
1835-49-0 - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21 - Harmful by inhalation and in contact with skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/39 - R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection S22 - Do not breathe dust. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 3439 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | CZ1955000 |
| HS Code | 29269090 |
| Hazard Note | Toxic |
| Hazard Class | 6.1(b) |
| Packing Group | III |
1835-49-0 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | tetrafluorobenzonitrile has a melting point of 197 degrees to 199 degrees and a density of 1.5, the appearance was a white solid at normal temperature and pressure. They are useful as intermediates in organic synthesis and pharmaceutical chemistry. Tetrafluorophthalonitrile is soluble in hot ethanol but is poorly soluble in water. |
| Use | tetrafluorobenzonitrile as an intermediate in organic synthesis and medicinal chemistry and material chemistry, as an intermediate in organic synthesis, the cyano group in the structure is a good and easy to convert functional groups, which can be converted into carboxylic acids and amine compounds. In addition, because of the strong electron-withdrawing ability of two cyano groups and the electron-withdrawing properties of multiple fluorine atoms themselves, the fluorine atoms on the benzene ring can easily undergo corresponding nucleophilic attack reactions, A product in which one of the fluorine atoms is substituted is obtained. In material chemistry, the compound also has a wide range of applications, such as the compound can be a good continuous nucleophilic substitution reaction, high molecular polymers and organic light-emitting materials with special properties can be obtained by selecting the reaction conditions. |
| synthesis method | for the synthesis of tetrafluorobenzonitrile, the conventional synthesis method is tetrachlorobenzonitrile as the starting material, the chloro-fluorinated product tetrafluorobenzonitrile can be obtained by stirring with potassium fluoride at high temperature in N,N-dimethylformamide. It should be noted that this reaction requires a high temperature, generally above 160 ° C., so that the requirements for the reaction vessel are relatively high. The advantage of this route is that the reaction effect is relatively good and the yield is very high. |
Last Update：2024-04-10 22:29:15
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