| Identification | More | [Name]
3,4,5-Trifluorophenylboronic acid | [CAS]
143418-49-9 | [Synonyms]
3,4,5-TRIFLUOROBENZENEBORONIC ACID
3,4,5-TRIFLUOROPHENYLBORONIC ACID
AKOS BRN-0138
3,4,5-Trifluophenylboronic acid
3,4,5-Trifluorobenzeneboronic acid 97%
3,4,5-Trifluorobenzeneboronicacid97%
3,4,5-TRIFLUOROPHENYLBORONIC ACID MIN 96% HPLC
3,4,5-TRIFLUOROPHENYLBORONIC ACID, 95+% | [EINECS(EC#)]
604-355-8 | [Molecular Formula]
C6H4BF3O2 | [MDL Number]
MFCD02093069 | [Molecular Weight]
175.9 | [MOL File]
143418-49-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Tan powder | [Melting point ]
290-295 °C (lit.) | [Boiling point ]
263.6±50.0 °C(Predicted) | [density ]
1,087g/cm | [refractive index ]
1,423-1,425 | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
18.43g/l | [form ]
Powder | [pka]
6.54±0.11(Predicted) | [color ]
Tan | [Usage]
Intermediates of Liquid Crystals | [BRN ]
7371914 | [InChI]
InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H | [InChIKey]
UHDDEIOYXFXNNJ-UHFFFAOYSA-N | [SMILES]
B(C1=CC(F)=C(F)C(F)=C1)(O)O | [CAS DataBase Reference]
143418-49-9(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
Reactant involved in:
• Preparation of phenylboronic catechol esters and determination of Lewis acidity
• Synthesis of benzopyranone derivatives as GABAA receptor modulators
• Synthesis of multisubstituted olefins and conjugate dienes
• Suzuki cross-coupling reactions
• Preparation of fluorinated aromatic poly(ether-amide)s |
| Safety Data | Back Directory | [Hazard Codes ]
N-Xn,Xi | [Risk Statements ]
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 Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
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 . | [RIDADR ]
3077 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29319099 |
| Hazard Information | Back Directory | [Description]
3,4,5-Trifluorophenylboronic acid is an arylboronic acid compound used in organic synthesis and as a reaction reagent. It can be used as a catalyst to catalyse the direct amidation of amino acid derivatives and the direct polycondensation of carboxylic acids and amines; it can also be used in the formation of new 1:1 co-crystals with urea C6H4BF3O2-CH4N2O components. | [Chemical Properties]
Tan powder | [Synthesis]
Add 42mmol (10.08g) of magnesium chips into a 1000mL four-necked flask, add 2 pieces of iodine, and then add 200mL of anhydrous 2-methyltetrahydrofuran, heat the temperature to 50°C, and then slowly let it cool down to 40°C. And then drip 4-5mL of 3,4,5-trifluorobromobenzene 84.4g (0.4mol) and 50mL 2-methyltetrahydrofuran mixed solution, trigger the Grignard reaction, the temperature will rise rapidly after the reaction is initiated, use The temperature is lowered to 10-15°C in an ice-water bath, and a mixture (1) composed of 3,4,5-trifluorobromobenzene 84.4g (0.4mol) and 50mL 2-methyltetrahydrofuran (1), trimethyl borate is added dropwise. A mixture of 44 grams (0.42 mol) of ester and 50 mL of 2-methyltetrahydrofuran (2).The speed of the mixed solution (1) and the mixed solution (2) is kept the same, the dropping speed is controlled, and the dropping temperature is kept at 10-15°C . After the dropping is completed, the reaction is continued at room temperature for 8 hours.After the reaction is over, the reaction solution is slowly poured into dilute hydrochloric acid, and after the addition is complete, stir for 0.5-1.5h, separate the liquids, and then extract the aqueous phase twice, combine the organic phases, dry with anhydrous sodium sulfate, spin dry, and Recrystallization of ethyl chloride gave 3,4,5-Trifluorophenylboronic acid with a yield of 78% and a content of 99.6%. |
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