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Home > Encyclopedia > (3,5-Difluorophenyl)boronic acid

(3,5-Difluorophenyl)boronic acid

(3,5-Difluorophenyl)boronic acid structure

(3,5-Difluorophenyl)boronic acid 

structure
  • CAS No:

    156545-07-2

  • Formula:

    C6H5BF2O2

  • Chemical Name:

    (3,5-Difluorophenyl)boronic acid

  • 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

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

(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

Methods of 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.

Uses

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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