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2-(3,5-Dibromophenyl) 4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,5-Dibromophenyl) 4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 408492-26-2

Catalog:	BB068120
Product Name:	2-(3,5-Dibromophenyl) 4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	408492-26-2
Synonyms:	2-(3,5-dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(3,5-DIBROMOPHENYL) 4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 3,5-Dibromophenylboronic acid pinacol ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(3,5-dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	2-(3,5-Dibromophenyl) 4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular Weight:	361.87
Molecular Formula:	C12H15BBr2O2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Br)Br
InChI:	InChI=1S/C12H15BBr2O2/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7H,1-4H3
InChI Key:	WJYKUCWENIHKOC-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	361.95114
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	359.95319
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0