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

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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
294.1824814 g/mol
Monoisotopic Mass
294.1824814 g/mol
Topological Polar Surface Area
46.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
304
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

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