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4-Bromophenylboronic Acid Pinacol Ester

4-Bromophenylboronic Acid Pinacol Ester - CAS 68716-49-4

Catalog:	BB033617
Product Name:	4-Bromophenylboronic Acid Pinacol Ester
CAS:	68716-49-4
Synonyms:	2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	4-Bromophenylboronic Acid Pinacol Ester (CAS# 68716-49-4) is a useful research chemical.
Molecular Weight:	282.97
Molecular Formula:	C12H16BrO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C12H16BBrO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3
InChI Key:	AZCNDGAXOZWQPV-UHFFFAOYSA-N
Boiling Point:	324.147 °C at 760 mmHg
Density:	1.297 g/cm³
MDL:	MFCD11110553
LogP:	2.74830

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Related Functional Groups

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.04267
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.04267
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0