| Identification | More | [Name]
3-Fluorophenylboronic acid | [CAS]
768-35-4 | [Synonyms]
3-FLUOROBENZENEBORONIC ACID
3-FLUORO PHENYLBORIC ACID
3-FLUOROPHENYLBORNIC ACID
3-FLUOROPHENYLBORONIC ACID
AKOS BRN-0105
M-FLUOROPHENYLBORONIC ACID
RARECHEM AH PB 0217
3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID
3-Fluorobenzeneboronicacid,97%
3-Fluorobenzeneboronic acid 97%
3-FLUOROPHENYLBORONIC ACID 97%
3-Fluorophenylboronic Acid (contains varying amounts of Anhydride)
3-Fluorophenylboronic acid ,98% | [EINECS(EC#)]
476-720-8 | [Molecular Formula]
C6H6BFO2 | [MDL Number]
MFCD00236042 | [Molecular Weight]
139.92 | [MOL File]
768-35-4.mol |
| Questions And Answer | Back Directory | [Synthesis]
The molar ratio of 3-fluorobromobenzene:magnesium:trimethyl borate is 1.0:1.1:1.5. The total mass of the solvent 2-methyltetrahydrofuran is 7 times the mass of 3-fluorobromobenzene. The synthesis of 768-35-4 is synthesized in the following molar ratio: 1.0:1.1:1.5. Add 2.6 g (0.11 mol) of magnesium filings and 1-2 grains of iodine to a 250 mL four-necked flask equipped with a reflux condenser and a constant-pressure dropping funnel. Add 30 g of 2-methyltetrahydrofuran. Under N2 protection at 40 °C, add 22.5 g of a 2-methyltetrahydrofuran solution containing 17.5 g (0.10 mol) of 3-fluorobromobenzene. After stirring to initiate the reaction, add the remaining 3-fluorobromobenzene solution. After the addition is complete, react at this temperature for 3 hours to prepare a 2-methyltetrahydrofuran solution of 3-fluorophenyl magnesium bromide. In a 500 mL four-necked flask, add 15.6 g (0.153 mol) of trimethyl borate and 90.0 g of 2-tetrahydrofuran. Cool to -20 °C under N2 protection. Add the above Grignard reagent solution. After the addition is complete, maintain the temperature for 3 hours. At this temperature, 100 mL of 8% hydrochloric acid was added, and the hydrolysis reaction was carried out for 2 hours. The organic phase was separated, and the aqueous layer was extracted with 2-methyltetrahydrofuran, then washed with saturated brine until neutral. The organic phases were combined, dried over anhydrous sodium sulfate, and the solvent was recovered under reduced pressure. The crude product was recrystallized from 1,2-dichloroethane to give 11.7 g of 3-fluorophenylboronic acid, white needle-like crystals, with a yield of 83.7%, an HPLC purity of 99.6%, and a melting point of 217.6–218.3 °C. |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
214-218 °C (lit.) | [Boiling point ]
271.4±42.0 °C(Predicted) | [density ]
1.24±0.1 g/cm3(Predicted) | [vapor pressure ]
0Pa at 20℃ | [storage temp. ]
0-6°C | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
7.50±0.10(Predicted) | [color ]
White to off-white | [Water Solubility ]
27.1g/L at 20℃ | [Usage]
Intermediates of Liquid Crystals | [Detection Methods]
HPLC,NMR | [BRN ]
3030632 | [InChI]
InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H | [InChIKey]
KNXQDJCZSVHEIW-UHFFFAOYSA-N | [SMILES]
B(C1=CC=CC(F)=C1)(O)O | [LogP]
2 at 23℃ | [CAS DataBase Reference]
768-35-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H314-H335 | [Precautionary statements ]
P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
No | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29319099 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
Intermediates of Liquid Crystals | [Uses]
suzuki reaction | [Flammability and Explosibility]
Notclassified |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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