(3,5-Difluorophenyl)boronic acid
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(3,5-Difluorophenyl)boronic acid
structure -
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CAS No:
156545-07-2
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Formula:
C6H5BF2O2
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Chemical Name:
(3,5-Difluorophenyl)boronic acid
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Synonyms:
Boronic acid,B-(3,5-difluorophenyl)-;Boronic acid,(3,5-difluorophenyl)-;B-(3,5-Difluorophenyl)boronic acid;(3,5-Difluorophenyl)boronic acid;(3,5-Difluorophenyl)dihydroxyborane;3,5-Difluorobenzeneboronic acid
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CAS No:
(3,5-Difluorophenyl)boronic acid Basic Attributes
157.91
157.91
6800882
1312995-182-4
DTXSID90370229
2931900090
Characteristics
40.5
-0.35540
White to beige-yellowish powder
1.4±0.1 g/cm3
210-217 °C(lit.)
266.9°C at 760 mmHg
115.2±30.1 °C
1.486
0-6°C
1.04E-07mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-20-19-11-22
26-36-33-16-37/39
Xi,Xn,F
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(3,5-Difluorophenyl)boronic acid Use and Manufacturing
In a nitrogen atmosphere, a solution prepared by dissolving 100 g of 3, 5-difluorobromobenzene in 150 mE of THF was added dropwise at a rate that caused gentle reflux to a mixed solution of 13.85 g of magnesium and 55 mE of THF. Afier dropwise addition, the mixture was stirred at 40° C. for 1 hour and cooled with ice. Then, a solution prepared by dissolving 64.59 g of trimethoxyborane in 130 mE of THF was slowly added dropwise under ice cooling, followed by stirring at room temperature for 1 hout Then, 10percent hydrochloric acid was added until the reaction system became acidic, and the mixture was stirred at room temperature for 30 minutes. Then, an organic layer was separated from the mixture, and an aqueous layer was subjected to extraction with hexane. The hexane extract was combined with the organic layer and washed with saturated brine. The resultant mixture was dried by adding sodium sulfate, and then the solvent was distilled off under reduced pressure to yield 71.65 g of 3, 5- difluorophenylboronic acid.
Intermediates of Liquid Crystals
Computed Properties
Molecular Weight:157.91
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:158.0350659
Monoisotopic Mass:158.0350659
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3,5-Difluorophenyl)boronic acid
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