Ethynylboronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C8H13O2B

Molecular Weight:

152.00

CAS Number:

347389-74-6

Catalog Number:

347389-74-6

Product Information

Molecular Formula:

C8H13O2B

Molecular Weight:

152.00

Description

Ethynylboronic Acid Pinacol Ester (CAS# 347389-74-6) is a useful research chemical.

Synonyms

2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C#C

InChI

InChI=1S/C8H13BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h1H,2-5H3

InChI Key

ZEOXJIIUMORBNN-UHFFFAOYSA-N

Flash Point

Not applicable

Appearance

Liquid pale yellow - reddish yellow

LogP

1.25100

Safety Information

Precautionary Statement

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

152.1008598 g/mol

Monoisotopic Mass

152.1008598 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

195

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

Patents

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	2020-03-24
WO-2020083377-A1	Pyrrolidinyl urea derivatives and application thereof	2018-10-26
KR-20190067890-A	Heterocyclic FXR modulator	2016-10-22
CN-107446135-B	Dynamic polymer with dynamic cross-linked structure	2016-06-01
US-2012202815-A1	Heterobicycle-substituted azolyl benzene fungicides	2009-10-29
US-8921360-B2	Heterobicycle-substituted azolyl benzene fungicides	2009-10-29
WO-2011059619-A1	Heterobicycle-substituted azolyl benzene fungicides	2009-10-29
JP-2008074711-A	Method for producing triarylethylethene derivative	2006-09-19
JP-4940429-B2	Method for producing triarylethylethene derivative	2006-09-19

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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