3,4,5-Trifluorophenyl boronic acid
3,4,5-Trifluorophenylboronic acid
CAS: 143418-49-9
Molecular Formula: C6H4BF3O2
3,4,5-Trifluorophenyl boronic acid - Names and Identifiers
| Name | 3,4,5-Trifluorophenylboronic acid |
| Synonyms | Alkaneboronic AKOS BRN-0138 3,4,5-Trifluophenylboronic acid 3,4,5-Trifluorophenylboronic acid 3,4,5-TRIFLUOROPHENYLBORONIC ACID 3,4,5-TRIFLUOROBENZENEBORONIC ACID 3,4,5-Trifluorophenylboronic Aicd 3,4,5-Trifluorobenzeneboronic Acid 3,4,5-Trifluorophenyl boronic acid |
| CAS | 143418-49-9 |
| EINECS | 604-355-8 |
| InChI | InChI=1/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H |
| InChIKey | UHDDEIOYXFXNNJ-UHFFFAOYSA-N |
3,4,5-Trifluorophenyl boronic acid - Physico-chemical Properties
| Molecular Formula | C6H4BF3O2 |
| Molar Mass | 175.9 |
| Density | 1,087g/cm |
| Melting Point | 290-295 °C (lit.) |
| Boling Point | 263.6±50.0 °C(Predicted) |
| Flash Point | 113.2°C |
| Solubility | 18.43g/l |
| Vapor Presure | 0.00513mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | Tan |
| BRN | 7371914 |
| pKa | 6.54±0.11(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1,423-1,425 |
| MDL | MFCD02093069 |
3,4,5-Trifluorophenyl boronic acid - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment Xn,Xi - |
| Risk Codes | R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36 - Irritating to the eyes R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. 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 - Wear suitable protective clothing. |
| UN IDs | 3077 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
3,4,5-Trifluorophenyl boronic acid - Reference Information
| introduction | 3,4, 5-trifluorophenylboronic acid is a fluorophenylboronic acid. Fluorophenylboronic acid is a kind of organic synthesis and pharmaceutical and chemical intermediates that are relatively stable in the air, insensitive to moisture, can be stored for a long time and have high reactivity. The Suzuki coupling reaction of fluorophenylboronic acid and halogenated aromatic hydrocarbons has good position selectivity and stereoselectivity. Various chemical functional groups do not change in the reaction. The reaction conditions are mild and the yield is high. It is an important way to form C- C bonds. Fluorophenylboronic acid has very important applications in organic synthesis reactions such as the formation of C- O bonds, C- N bonds and C- S bonds. |
| prepare | glass three-port reaction flask with mechanical stirring, thermometer, constant pressure dropping funnel, adding solvent tetrahydrofuran and raw material 3,4, 5-trifluorobromobenzene, performing nitrogen replacement, dropping 1.1 molar equivalent of isopropyl magnesium chloride solution at 10-15 ℃, reacting for 1 hour after dropping, and detecting raw material 3 through gas chromatography control, the reaction of 4, 5-trifluorobromobenzene is completed. Then 1.2 molar equivalent of trimethyl borate was added dropwise at 5-10 ℃, reacted for 2 hours, and post-treatment was carried out. After the treatment, a certain amount of water is added to terminate the reaction, the pH value of the system is adjusted to acidic with acid, the organic phase is separated, the solvent is removed by distillation under reduced pressure, and the product 3,4, 5-trifluorophenylboronic acid is obtained after recrystallization, the purity is greater than 99.5%, and the related impurities are less than 200PPM. |
Last Update：2024-04-10 22:29:15
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