4-Chloro-2-fluorophenylboronic acid
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4-Chloro-2-fluorophenylboronic acid
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CAS No:
160591-91-3
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Formula:
C6H5BClFO2
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Chemical Name:
4-Chloro-2-fluorophenylboronic acid
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Synonyms:
AKOS BRN-0717;4-CHLORO-2-FLUOROPHENYLBORONIC ACID;4-CHLORO-2-FLUOROBENZENEBORONIC ACID;4-Chloro-2-fluorobenzeneboronic acid 98%;4-Chloro-2-fluorobenzeneboronicacid98%;4-chloro-2-fluorobenzenboronic acid;Boronic acid, B-(4-chloro-2-fluorophenyl)-;1-Borono-4-chloro-2-fluorobenzene
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CAS No:
Characteristics
40.5
0.15890
1.4±0.1 g/cm3
248-250
289.2°C at 760 mmHg
128.7±30.1 °C
1.533
Insoluble in water.
0.00103mmHg at 25°C
Safety Information
IRRITANT
36/37/38-36
26-36/37/39-37
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-2-fluorophenylboronic acid Use and Manufacturing
A 2 L round bottom flask was charged with 1-bromo-4-chloro-2-fluorobenzene(1-bromo-4-chloro-2-fluorobenzene, 50 g, 238.7 mmol)And anhydrous tetrahydrofuran 900 ml was added and the mixture was cooled to -78°C with stirring.N-butyl lithium (2.5 M hexane solution; 100 ml, 250 mmol)And the mixture was stirred for 1 hour.Trimethylborate (31.9 ml, 286 mmol) was slowly added thereto, After 30 minutes, 600 ml of a 1N hydrogen chloride aqueous solution was addedThe temperature was raised to room temperature while stirring.The organic layer was separated, dried over anhydrous magnesium sulfate, and filtered. The mixture was distilled under reduced pressure, concentrated, and extracted with chloroform and hexaneAnd recrystallized to obtain Compound 1 (33.7 g, 193.3 mmol) in a yield of 81percent.
suzuki reaction
Computed Properties
Molecular Weight:174.37
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.0055154
Monoisotopic Mass:174.0055154
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-2-fluorophenylboronic acid
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