Ethynylboronic Acid Pinacol Ester
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
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
152.1008598 g/mol
Monoisotopic Mass
152.1008598 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
195
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
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 |
