Ethynylboronic Acid Pinacol Ester - CAS 347389-74-6

Catalog:	BB022266
Product Name:	Ethynylboronic Acid Pinacol Ester
CAS:	347389-74-6
Synonyms:	2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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Computed Properties

IUPAC Name:	2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	Ethynylboronic Acid Pinacol Ester (CAS# 347389-74-6) is a useful research chemical.
Molecular Weight:	152.00
Molecular Formula:	C8H13O2B
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

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
KR-20190067890-A	Heterocyclic FXR modulator	20161022
CN-107446135-B	Dynamic polymer with dynamic cross-linked structure	20160601
US-2012202815-A1	Heterobicycle-substituted azolyl benzene fungicides	20091029
US-8921360-B2	Heterobicycle-substituted azolyl benzene fungicides	20091029

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Related Functional Groups

Boronic Acids and Esters

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[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[937796-06-0]
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4'-Chloro-4-biphenylboronic Acid
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.1008598
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.1008598
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0