2-Fluoro-5-formylphenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C13H16BFO3

Molecular Weight:

250.07

CAS Number:

1112208-82-8

Catalog Number:

1112208-82-8

Product Information

Molecular Formula:

C13H16BFO3

Molecular Weight:

250.07

Description

2-Fluoro-5-formylphenylboronic acid pinacol ester (CAS# 1112208-82-8) is a useful research chemical.

Synonyms

4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

IUPAC Name

4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C=O)F

InChI

InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-8H,1-4H3

InChI Key

WHYMLQVABFAGEK-UHFFFAOYSA-N

Melting Point

35-40 °C

Flash Point

230.0 °F - closed cup

Purity

95 %

Storage

2-8 °C

LogP

1.93740

Safety Information

Hazards

H315 - H319

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

250.1176527 g/mol

Monoisotopic Mass

250.1176527 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

316

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
WO-2011096461-A1	Quinoline derivative	2010-02-03

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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