3,5-Dibromophenylboronic Acid

Inquiry

Molecular Formula:

C6H5Br2O2B

Molecular Weight:

279.72

CAS Number:

117695-55-3

Catalog Number:

117695-55-3

Product Information

Molecular Formula:

C6H5Br2O2B

Molecular Weight:

279.72

Description

Reactant involved in: Vacuo condensation and on-surface radical addition for synthesis of phenylene-boroxine networks; Lithiation of dihalophenyl dioxazaborocines yielding functionalized dihalophenylboronic acids; Cycloboronation of tetrasubstituted butanetetraols; Homocoupling of arylboronic acids; Synthesis of borondipyrromethene hybrids; Studies of structure and activity of NHC and dendritic NHC iridium complexes.

Synonyms

(3,5-dibromophenyl)boronic acid; (3,5-dibromophenyl)boronic acid

IUPAC Name

(3,5-dibromophenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1)Br)Br)(O)O

InChI

InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H

InChI Key

WQBLCGDZYFKINX-UHFFFAOYSA-N

Boiling Point

382.8 °C at 760 mmHg

Melting Point

>300 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

2.09 g/cm³

Appearance

Light pink powder

Storage

Keep in dark place, Sealed in dry, Room Temperature

LogP

0.89140

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

279.87289 g/mol

Monoisotopic Mass

277.87493 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

124

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113788846-A	Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof	2021-10-27
CN-112852036-A	Aluminum alloy far infrared radiation material and knapsack	2021-01-06
CN-112898324-A	Compound, application thereof and organic electroluminescent device	2019-12-03
KR-20210039248-A	Benzimidazolone derivatives organic light emitting compound and organic electroluminescent device including the same	2019-10-01
CN-110283134-B	Triazine benzene derivative and application thereof	2019-06-21
US-2020399540-A1	Brominated flame-retardant tetrazines	2019-06-19
US-11198818-B2	Brominated flame-retardant tetrazines	2019-06-19
JP-2020169287-A	Compounds, precursors, electrolyte membranes, fuel cells, water electrolysis and electrolysis technology	2019-04-04
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	2018-01-26
EP-3743063-A1	Inhibitors of cbl-b and methods of use thereof	2018-01-26

Literatures

PMID	Publication Date	Title	Journal
4891	1975-11-01	Oxprenolol in senile tremor	Scottish medical journal

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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