Thiophene-2-boronic acid

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Molecular Formula:

C4H5BO2S

Molecular Weight:

127.95

CAS Number:

6165-68-0

Catalog Number:

6165-68-0

Product Information

Molecular Formula:

C4H5BO2S

Molecular Weight:

127.95

Description

A reagent used for Palladium-catalyzed Suzuki-Miyaura cross-couplings.

Synonyms

2-Thiopheneboronic acid; 2-Thienylboronic acid

IUPAC Name

thiophen-2-ylboronic acid

Canonical SMILES

B(C1=CC=CS1)(O)O

InChI

InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H

InChI Key

ARYHTUPFQTUBBG-UHFFFAOYSA-N

Melting Point

138-140 °C (lit.)

Flash Point

Not applicable

Purity

98 %

Density

1.32 g/cm³

Appearance

White to light yellow crystal powder

Storage

2-8 °C

Safety Information

Hazards

H302 - H315 - H319 - H335

Precautionary Statement

P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

128.0103307 g/mol

Monoisotopic Mass

128.0103307 g/mol

Topological Polar Surface Area

68.7Å²

Heavy Atom Count

Formal Charge

Complexity

78.4

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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Thiophene-2-boronic acid

Product Information

Safety Information

Computed Properties

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