4-Ethylphenylboronic Acid

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Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

CAS Number:

63139-21-9

Catalog Number:

63139-21-9

Product Information

Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

Description

Reactant for: Suzuki-Miyaura cross-coupling reactions.

Synonyms

(4-ethylphenyl)boronic acid; (4-ethylphenyl)boronic acid

IUPAC Name

(4-ethylphenyl)boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)CC)(O)O

InChI

InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

RZCPLOMUUCFPQA-UHFFFAOYSA-N

Boiling Point

285.1 °C / 760 mmHg

Melting Point

150-155 °C (lit.)

Flash Point

Not applicable

Density

1.07 g/cm³

Storage

Keep in dark place. Sealed in dry. Room temperature.

LogP

-0.07120

Safety Information

Hazards

H302

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

150.0852098 g/mol

Monoisotopic Mass

150.0852098 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

109

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-Ethylphenylboronic Acid

Product Information

Safety Information

Computed Properties

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