(2,3-Difluorophenyl)boronic acid
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(2,3-Difluorophenyl)boronic acid
structure -
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CAS No:
121219-16-7
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Formula:
C6H5BF2O2
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Chemical Name:
(2,3-Difluorophenyl)boronic acid
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Synonyms:
Boronic acid,B-(2,3-difluorophenyl)-;Boronic acid,(2,3-difluorophenyl)-;B-(2,3-Difluorophenyl)boronic acid;(2,3-Difluorophenyl)boronic acid;2,3-Difluorobenzeneboronic acid
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CAS No:
(2,3-Difluorophenyl)boronic acid Basic Attributes
157.91
157.91
6594341
-0
DTXSID90370224
2931900090
Characteristics
40.5
White to light beige Crystalline Powder
1.4±0.1 g/cm3
95 °C (dec.)(lit.)
274.8°C at 760 mmHg
120.0±30.1 °C
1.486
0-6°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-22
37/39-26-36/37
Xn,Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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.|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
(2,3-Difluorophenyl)boronic acid Use and Manufacturing
1, 2-Difluorobenzene (40 g, 0.35 mol) and dry tetrahydrofurane (400 ml) were placed in 1 L flask equipped with mechanical stirrer, nitrogen inlet and outlet, pressure-equilibrated dropping funnel and thermometer. The reaction flask was flushed with nitrogen and minor flow was held during whole reaction time. The mixture was cooled down to −78° C. with dry ice/acetone bath and 2.5 mol/L hexane solution of n-butyllithium (140 ml; 0.35 mol) was added dropwise, keeping the reaction temperature below −70° C. After addition of all butyllithium solution the mixture was stirred at −78° C. for 2 h and then tripropylborate (66 g, 0.35 mol) was added dropwise keeping the reaction temperature below −70° C. After addition of tripropyl borate the cooling bath was removed and the reaction mixture continuously stirred to reach the room temperature then the solvents were evaporated. The thick liquid residue was acidified and then propanol was evaporated and the remaining solid was filtered off, washed out with hexane and recrystalized from water. The white crystalline product 47 g was obtained, with 85percent of theor. yield.
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:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2,3-Difluorophenyl)boronic acid
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