2-Fluoro-3-Methoxyphenylboronic acid

Inquiry

Molecular Formula:

C7H8BFO3

Molecular Weight:

169.95

CAS Number:

352303-67-4

Catalog Number:

352303-67-4

Product Information

Molecular Formula:

C7H8BFO3

Molecular Weight:

169.95

Description

2-Fluoro-3-methoxyphenylboronic acid was used as the reactant to participate in the regional selective suzuki coupling, the preparation of 17 hydroxysteroid dehydrogenase type 1 inhibitors, and the preparation of boron esters.

Synonyms

2-fluoro-3-methoxybenzeneboronic acid; Boronic acid, (2-fluoro-3-methoxyphenyl)-; MFCD02094728; 2-fluoro-3-methoxy-phenyl-boronic acid; AK-34813; BC000799

IUPAC Name

(2-fluoro-3-methoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3

InChI Key

JCKZNMSBFBPDPM-UHFFFAOYSA-N

Boiling Point

326.8±52.0 °C (Predicted)

Melting Point

117-122 °C

Purity

98 % (HPLC)

Density

1.260±0.10 g/cm³ (Predicted)

Solubility

Slightly soluble in Chloroform (Heated), DMSO, Methanol

Appearance

White-like powder

Storage

-20 °C

LogP

-0.48590

Safety Information

Precautionary Statement

P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.0550524 g/mol

Monoisotopic Mass

170.0550524 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

145

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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2-Fluoro-3-Methoxyphenylboronic acid

Product Information

Safety Information

Computed Properties

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