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Name |
2-Bromophenylboronic acid |
EINECS | -0 |
CAS No. | 244205-40-1 | Density | 1.671 g/cm3 |
PSA | 40.46000 | LogP | 0.12890 |
Solubility | Soluble in methanol. Slightly soluble in water. | Melting Point |
109-114 °C |
Formula | C6H6BBrO2 | Boiling Point | 329.17 °C at 760 mmHg |
Molecular Weight | 200.827 | Flash Point | 152.877 °C |
Transport Information | N/A | Appearance | White to off-white powder |
Safety | 37/39-26 | Risk Codes | 36/37/38-22 |
Molecular Structure | Hazard Symbols | Xi,Xn | |
Synonyms |
Boronicacid, (2-bromophenyl)- (9CI); |
(2-bromophenyl)boronic acid
Conditions | Yield |
---|---|
With iron(III) chloride; water In tetrahydrofuran at 20℃; for 0.5h; | 91% |
Conditions | Yield |
---|---|
With LiC(CH3)3; HCl In tetrahydrofuran; diethyl ether (under Ar, Schlenk); soln. of o-dibromobenzene, THF-Et2O cooled to -115°C, LiC(CH3)3 (-78°C) added, stirred for 35 min at -115°C, treated with B(OCH3)3 in Et2O (-78°C), stirred for 2 h at -115-105°C; quenched with EtOH/HCl at -115°C, warmed to room temp., extd. with Et2O, organic layer washed with brine, H2O, dried over MgSO4, solvent removed by rotary evaporator, residue refluxed in H2O for 2 h, filtered,recrystd. from H2O; elem. anal.; | 66% |
(2-bromophenyl)boronic acid
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran; hexane; toluene at 20℃; for 0.5h; |
1,2-dibromobenzene
(2-bromophenyl)boronic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: triisopropyl borate; n-butyllithium / toluene; tetrahydrofuran; hexane / 2.08 h / -70 - 20 °C 2: aq. HCl / toluene; tetrahydrofuran; hexane / 0.5 h / 20 °C View Scheme |
(2-bromophenyl)boronic acid
Conditions | Yield |
---|---|
With hydrogenchloride; water In tetrahydrofuran; diethyl ether; ethanol; pentane at -115 - 20℃; | 0.55 g |
1-Bromo-2-iodobenzene
(2-bromophenyl)boronic acid
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-2-iodobenzene With isopropylmagnesium chloride In tetrahydrofuran at -42℃; for 2h; Inert atmosphere; Stage #2: With Triisopropyl borate In tetrahydrofuran at 20℃; Inert atmosphere; Stage #3: With sodium hydroxide In tetrahydrofuran; water for 1h; Inert atmosphere; |
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-2-iodobenzene With lithium acetate; 1-propylmagnesium chloride; 3-butyl-1-methylimidazolium acetate In tetrahydrofuran at 0 - 10℃; for 4h; Inert atmosphere; Stage #2: Trimethyl borate In tetrahydrofuran at 10℃; for 3h; Inert atmosphere; Stage #3: With acetic acid at 15℃; for 0.333333h; Inert atmosphere; | 86.83 g |
2,2-Dimethyl-1,3-propanediol
(2-bromophenyl)boronic acid
2,2-dimethylpropane-1,3-diyl [2-bromophenyl] boronate
Conditions | Yield |
---|---|
In toluene for 1h; Heating; | 100% |
In dichloromethane at 20℃; for 3.5h; | 100% |
In benzene Reflux; | |
In diethyl ether at 20℃; Inert atmosphere; Molecular sieve; |
di(4-methyl)phenylthiosulfonate
(2-bromophenyl)boronic acid
1-bromo-2-(4-methylphenylsulfanyl)benzene
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; copper(II) sulfate In methanol at 20℃; for 24h; Inert atmosphere; | 100% |
With sodium hydrogencarbonate; copper(II) sulfate In methanol at 20℃; for 24h; Inert atmosphere; | 95% |
(2-bromophenyl)boronic acid
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; water; toluene at 110℃; Inert atmosphere; | 100% |
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane; ethanol; water at 90℃; Inert atmosphere; | 93% |
The 2-Bromophenylboronic acid, with the CAS registry number 244205-40-1, is also known as Boronic acid, B-(2-bromophenyl)-. It belongs to the product categories of Blocks; Boronic Acids; Bromides; B (Classes of Boron Compounds); Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C6H6BBrO2 and molecular weight is 200.83. What's more, its systematic name is (2-Bromophenyl)boronic acid. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.
Physical properties of 2-Bromophenylboronic acid are: (1)ACD/LogP: 2.361; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.30; (5)ACD/BCF (pH 5.5): 36.61; (6)ACD/BCF (pH 7.4): 32.17; (7)ACD/KOC (pH 5.5): 457.73; (8)ACD/KOC (pH 7.4): 402.23; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 41.01 cm3; (15)Molar Volume: 120.196 cm3; (16)Polarizability: 16.257×10-24cm3; (17)Surface Tension: 52.0 dyne/cm; (18)Density: 1.671 g/cm3; (19)Flash Point: 152.877 °C; (20)Enthalpy of Vaporization: 60.34 kJ/mol; (21)Boiling Point: 329.17 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1B(O)O
(2)Std. InChI: InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
(3)Std. InChIKey: PLVCYMZAEQRYHJ-UHFFFAOYSA-N