trans-1-Hexen-1-ylboronic acid pinacol ester, 97%

Inquiry

Molecular Formula:

C12H23BO2

Molecular Weight:

210.12

CAS Number:

126688-97-9

Catalog Number:

126688-97-9

Product Information

Molecular Formula:

C12H23BO2

Molecular Weight:

210.12

Description

Trans-1-Hexen-1-ylboronic acid pinacol ester, 97% is an indispensable compound in the realm of biomedicine and finds its applicability as a prized reagent for the synthesis of diverse pharmaceutical compounds and bioactive molecules. Its unparalleled purity and unwavering stability render it an optimal candidate for advancing drug development, with a particular focus on combatting specific afflictions.

Synonyms

(E)-2-(1-Hexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,trans-1-Hexenylboronic acid pinacol ester

IUPAC Name

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CCCCC

InChI

InChI=1S/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/b10-9+

InChI Key

PAOJMGKYYPHNDO-MDZDMXLPSA-N

Boiling Point

62-65°C0.5-0.6 mm Hg

Flash Point

195.8 °F - closed cup

Purity

95%

Density

0.875 g/mL at 25°C

Appearance

colorless to brown liquid

Storage

2-8°C

Refractive Index

n20/D 1.443

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

210.1791101 g/mol

Monoisotopic Mass

210.1791101 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

218

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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trans-1-Hexen-1-ylboronic acid pinacol ester, 97%

Product Information

Computed Properties

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