Bis(hexylene glycolato)diboron - CAS 230299-21-5

Name: Bis(hexylene glycolato)diboron
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017871
Product Name:	Bis(hexylene glycolato)diboron
CAS:	230299-21-5
Synonyms:	4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane; 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane

Technical Data

IUPAC Name:	4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane
Description:	Bis(hexylene glycolato)diboron (CAS# 230299-21-5) is a useful research chemical.
Molecular Weight:	253.94
Molecular Formula:	C12H24O4B2
Canonical SMILES:	B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C
InChI:	InChI=1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
InChI Key:	UEBSWKNVDRJVHN-UHFFFAOYSA-N
Boiling Point:	242.8 °C at 760 mmHg
Melting Point:	98-102 °C (lit.)
Flash Point:	Not applicable
Purity:	96 %
Density:	0.97 g/cm³
MDL:	MFCD03490499
LogP:	2.24920

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

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.1860696
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.1860696
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.9 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0