4-Bromo-2-fluorophenylboronic acid

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Molecular Formula:

C6H5BBrFO2

Molecular Weight:

218.82

CAS Number:

216393-64-5

Catalog Number:

216393-64-5

Product Information

Molecular Formula:

C6H5BBrFO2

Molecular Weight:

218.82

Description

4-Bromo-2-fluorophenylboronic acid (CAS# 216393-64-5) is a useful research chemical.

Synonyms

(4-bromo-2-fluorophenyl)boronic acid

IUPAC Name

(4-bromo-2-fluorophenyl)boronic acid

Canonical SMILES

B(C1=C(C=C(C=C1)Br)F)(O)O

InChI

InChI=1S/C6H5BBrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

InChI Key

PKZHIIVZRPUZSU-UHFFFAOYSA-N

Boiling Point

310.6 °C at 760 mmHg

Flash Point

Not applicable

Purity

98 %

Density

1.75 g/cm³

Appearance

White solid

LogP

0.26800

Safety Information

Hazards

H302 - H319

Precautionary Statement

P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

217.95500 g/mol

Monoisotopic Mass

217.95500 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

136

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

The molarity calculator equation

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

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-Bromo-2-fluorophenylboronic acid

Product Information

Safety Information

Computed Properties

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