4-Iodophenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H11BINO4

Molecular Weight:

358.92

CAS Number:

1257649-56-1

Catalog Number:

1257649-56-1

Product Information

Molecular Formula:

C11H11BINO4

Molecular Weight:

358.92

Description

Suzuki Cross-Coupling with MIDA Boronates
Purity excludes solvent of crystallization. May contain up to 10 wt. % DMSO

Synonyms

2-(4-Iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

2-(4-iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)I

InChI

InChI=1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3

InChI Key

KIKNJEGAWBNFLW-UHFFFAOYSA-N

Melting Point

213-217 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

358.98259 g/mol

Monoisotopic Mass

358.98259 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

313

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-Iodophenylboronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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