2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID
- CAS NO.：1582-24-7
- Empirical Formula: C6H2BF5O2
- Molecular Weight: 211.88
- MDL number: MFCD01074663
- EINECS: 627-867-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-22 16:43:48
What is 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID?
Chemical properties
White solid
The Uses of 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID
2,3,4,5,6-Pentafluorobenzeneboronic acid is utilized in the palladium-catalyzed Suzuki reaction to synthesize several cross-coupled aromatic compounds, for example bis(pentafluorophenyl)-substituted thiophene and selenophene derivatives. It serves as an intermediate and raw material in pharmaceutical and chemical industry. It is also used in dyes and pigments. It can be used to prepare cyclic boronates of bifunctional compounds.
The Uses of 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID
Reactant for:
- Preparation of phenylboronic catechol esters as promising anion receptors for polymer electrolytes
- Preparation of biaryls via palladium-catalyzed homocoupling reaction
- Prepartion of quaternary a,a-heterodiaryl carboxylic esters via rhodium-catalyzed cross-coupling
- C-C cross-coupling reactions
Properties of 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID
| Melting point: | 176-179°C |
| Boiling point: | 244.0±50.0 °C(Predicted) |
| Density | 1.61±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| solubility | Miscible with alcohols, acetonitrile and dichloromethane. |
| pka | 6.13±0.58(Predicted) |
| form | powder |
| color | White to Almost white |
| Sensitive | Moisture Sensitive |
| BRN | 3033960 |
| InChI | InChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H |
| CAS DataBase Reference | 1582-24-7(CAS DataBase Reference) |
Safety information for 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 2,3,4,5,6-PENTAFLUOROBENZENEBORONIC ACID
| InChIKey | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| SMILES | B(C1=C(F)C(F)=C(F)C(F)=C1F)(O)O |
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