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2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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Molecular Formula:

C16H27BO2S

Molecular Weight:

294.26

CAS Number:

850881-09-3

Catalog Number:

850881-09-3

Product Information

Molecular Formula:

C16H27BO2S

Molecular Weight:

294.26

Description

Reagent used for• Suzuki-Miyaura cross-coupling reactions • p-type/n-type switching of ambipolar bithiazole-benzothiadiazole-based polymers in solar cells • Hierarchical self-assembly of semiconductor functionalized peptide a-helixes and optoelectronic properties Reagent used in Preparation of• Photovoltaic materials, polymers, and thiophene-based compounds with photophysical, electrochemical, and fluorescent properties• Polymer solar cells for Low band gap poly(1,4-arylene-2,5-thienylene)s with benzothiadiazole units • Dithienothiophene-based dyes for dye-sensitized solar cells

Synonyms

2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-Hexylthiophene-2-boronic acid pinacol ester; 3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene

IUPAC Name

2-(3-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

CCCCCCc1ccsc1B2OC(C)(C)C(C)(C)O2

InChI

InChI=1S/C16H27BO2S/c1-6-7-8-9-10-13-11-12-20-14(13)17-18-15(2,3)16(4,5)19-17/h11-12H,6-10H2,1-5H3

InChI Key

XCXAUPBHQCCWCI-UHFFFAOYSA-N

Flash Point

> 110 °C(230.0 °F)

Purity

95%

Density

0.983

Refractive Index

1.490-1.499

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

294.1824814 g/mol

Monoisotopic Mass

294.1824814 g/mol

Topological Polar Surface Area

46.7Å²

Heavy Atom Count

Formal Charge

Complexity

304

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-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Information

Computed Properties

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