Ethylboronic Acid Pinacol Ester - CAS 82954-89-0

Catalog:	BB036942
Product Name:	Ethylboronic Acid Pinacol Ester
CAS:	82954-89-0
Synonyms:	2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

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Computed Properties

IUPAC Name:	2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	Ethylboronic Acid Pinacol Ester (CAS# 82954-89-0) is a useful research chemical.
Molecular Weight:	156.03
Molecular Formula:	C8H17O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CC
InChI:	InChI=1S/C8H17BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H2,1-5H3
InChI Key:	NPUBDPDASOEIOA-UHFFFAOYSA-N
Appearance:	Clear liquid
LogP:	2.09850

Publication Number	Title	Priority Date
WO-2021068755-A1	Compound having brd4 inhibitory activity, preparation method therefor and use thereof	20191008
US-2021317127-A1	Heterocyclic spiro compounds and methods of use thereof for the treatment of cancer	20180801
WO-2019207969-A1	Method for producing copolymer of allyl monomer having polar group	20180425
CN-112020520-A	Method for producing allyl monomer copolymer having polar group	20180425
EP-3786196-A1	Method for producing copolymer of allyl monomer having polar group	20180425

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Related Functional Groups

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.1321599
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.1321599
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0