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Cas Database |
| Name |
3-Fluorophenylboronic acid |
EINECS | 476-720-8 |
| CAS No. | 768-35-4 | Density | 1.24 g/cm3 |
| PSA | 40.46000 | LogP | -0.49450 |
| Solubility | 27.1g/L at 20℃ | Melting Point |
214-218 °C(lit.) |
| Formula | C6H6BFO2 | Boiling Point | 271.4 °C at 760 mmHg |
| Molecular Weight | 139.922 | Flash Point | 117.9 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 22-24/25-37/39-26-36 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
(3-fluorophenyl)boronic acid |
Article Data | 18 |
3-Fluorophenylboronic acid Synthetic route
| Conditions | Yield |
|---|---|
| 95% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-fluorobromobenzene With diisobutylaluminium hydride; magnesium; lithium chloride In tetrahydrofuran; toluene at 20℃; for 15h; Inert atmosphere; Stage #2: With Trimethyl borate In tetrahydrofuran; toluene at 0℃; Inert atmosphere; Stage #3: With hydrogenchloride; water In tetrahydrofuran; toluene at 0℃; Inert atmosphere; | 83% |
| Stage #1: 3-fluorobromobenzene With n-butyllithium In tetrahydrofuran; toluene at -78℃; for 1.5h; Inert atmosphere; Stage #2: With Trimethyl borate In tetrahydrofuran; toluene at -78 - 20℃; for 1h; Inert atmosphere; | 70% |
| Stage #1: 3-fluorobromobenzene With magnesium In diethyl ether Grignard reaction; Stage #2: With Trimethyl borate In diethyl ether at 3℃; for 3h; boronation; Stage #3: With hydrogenchloride In diethyl ether Hydrolysis; |
| Conditions | Yield |
|---|---|
| In methanol at 15℃; for 3h; Microwave irradiation; | 83% |
| With bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); N-ethyl-N,N-diisopropylamine In 2-methyltetrahydrofuran; methanol at 50 - 55℃; Inert atmosphere; | 85 %Chromat. |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane; water; toluene at -78 - 20℃; Inert atmosphere; Schlenk technique; | 80% |
| Conditions | Yield |
|---|---|
| Stage #1: meta-fluoroaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.25h; Stage #2: tetrahydroxydiboron With sodium acetate In water at 20℃; for 0.333333h; | 67% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-fluorobromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: Triisopropyl borate In tetrahydrofuran; hexane at -78 - 20℃; for 0.833333h; Inert atmosphere; | 65% |
- 13675-18-8
tetrahydroxydiboron
- 1996-38-9
3-fluorobenzenediazonium tetrafluoroborate
- 768-35-4
3-fluorophenylboronic acid
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 20℃; for 0.25h; | 59% |
| Conditions | Yield |
|---|---|
| With diethyl ether und anschliessenden Hydrolyse; |
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran N2; BuLi dropping into org. compd. soln. at -78°C, mixt. keeping 3 h, B-compd. soln. addn. dropwise at -78°C, mixt. allowing to warm to room temp. overnight , stirring 1 h with 10% HCl, extn. (Et2O); org. extracts washing (water), drying, solvent vac. removal; | |
| With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; |
- 688-74-4
boric acid tributyl ester
- 17318-03-5
bromo(3-fluorophenyl)magnesium
- 768-35-4
3-fluorophenylboronic acid
3-Fluorophenylboronic acid Chemical Properties
Molecular structure of 3-Fluorophenylboronic acid (CAS NO.768-35-4) is:
Product Name: 3-Fluorophenylboronic acid
CAS Registry Number: 768-35-4
IUPAC Name: (3-Fluorophenyl)boronic acid
Molecular Weight: 139.920043 [g/mol]
Molecular Formula: C6H6BFO2
H-Bond Donor: 2
H-Bond Acceptor: 3
Melting Point: 214-218 °C(lit.)
storage temp. 0-6 °C
Surface Tension: 38.6 dyne/cm
Density: 1.24 g/cm3
Flash Point: 117.9 °C
Enthalpy of Vaporization: 53.83 kJ/mol
Boiling Point: 271.4 °C at 760 mmHg
Vapour Pressure: 0.00318 mmHg at 25°C
Product Categories: blocks; BoronicAcids; FluoroCompounds; Boronic Acid series; Fluoro-Aromatics; Boron, Nitrile, Thio,& TM-Cpds; Substituted Boronic Acids; Boronic Acids & Esters; Phenyls & Phenyl-Het; Fluorobenzene; Heterocyclic Compounds; Boronic Acid; Aryl; Fluorinated; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Chiral chemicals; Boronic Acids & Esters; Phenyls & Phenyl-Het
3-Fluorophenylboronic acid Uses
3-Fluorophenylboronic acid (CAS NO.768-35-4) is used as intermediates of Liquid Crystals.
3-Fluorophenylboronic acid Safety Profile
Safty information about 3-Fluorophenylboronic acid (CAS NO.768-35-4) is:
Hazard Codes: 
Xn,Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 22-24/25-37/39-26-36
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
HazardClass: IRRITANT
3-Fluorophenylboronic acid Specification
3-Fluorophenylboronic acid , its cas register number is 768-35-4. It also can be called 3-Fluorobenzeneboronic acid . It is a white to light yellow crystal powder.
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