2-Allylphenylboronic Acid Pinacol Ester - CAS 857934-92-0

Name: 2-Allylphenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037724
Product Name:	2-Allylphenylboronic Acid Pinacol Ester
CAS:	857934-92-0
Synonyms:	4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane
Description:	2-Allylphenylboronic Acid Pinacol Ester (CAS# 857934-92-0 ) is a useful research chemical.
Molecular Weight:	244.14
Molecular Formula:	C15H21O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CC=C
InChI:	InChI=1S/C15H21BO2/c1-6-9-12-10-7-8-11-13(12)16-17-14(2,3)15(4,5)18-16/h6-8,10-11H,1,9H2,2-5H3
InChI Key:	DJVJQUXDYIOXFO-UHFFFAOYSA-N
LogP:	2.71430

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1256355-43-7]C9H11O4B
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]C27H26BN3O2
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[380430-53-5]C9H11O4B
2-Ethoxycarbonylphenylboronic Acid
[470478-90-1]C21H33N2O4B
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[364044-44-0]C12H10ClO2B
4'-Chloro-4-biphenylboronic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.1634601
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.1634601
Rotatable Bond Count:	3
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0