3,4-Dimethylphenylboronic Acid

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Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

CAS Number:

55499-43-9

Catalog Number:

55499-43-9

Product Information

Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

Description

3,4-Dimethylphenylboronic Acid (CAS# 55499-43-9) is a useful research chemical.

Synonyms

(3,4-dimethylphenyl)boronic acid; (3,4-dimethylphenyl)boronic acid

IUPAC Name

(3,4-dimethylphenyl)boronic acid

Canonical SMILES

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

InChI

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

InChI Key

KDVZJKOYSOFXRV-UHFFFAOYSA-N

Flash Point

Not applicable

Appearance

Solid

LogP

-0.01680

Safety Information

Hazards

H315 - H318 - H335

Precautionary Statement

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

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

127

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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3,4-Dimethylphenylboronic Acid

Product Information

Safety Information

Computed Properties

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