2,2'-Bi-1,3,2-benzodioxaborole

Product Information

Molecular Formula:
C12H8O4B2
Molecular Weight:
237.81
Description
2,2'-Bi-1,3,2-benzodioxaborole (CAS# 13826-27-2 ) is a useful research chemical.
Synonyms
2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole; 2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
IUPAC Name
2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
Canonical SMILES
B1(OC2=CC=CC=C2O1)B3OC4=CC=CC=C4O3
InChI
InChI=1S/C12H8B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H
InChI Key
WYBQOWXCLDXZNR-UHFFFAOYSA-N
Boiling Point
314.988 °C at 760 mmHg
Melting Point
189-196 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.314 g/cm3
Storage
Inert atmosphere, 2-8 °C
LogP
2.12100

Safety Information

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

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
238.0608691 g/mol
Monoisotopic Mass
238.0608691 g/mol
Topological Polar Surface Area
36.9Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
259
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022030589-A1 Ligand containing monodentate coordination urea compound, and borylation catalyst containing same 2020-08-05
WO-2021226114-A1 Boronic acid derivatives and synthesis, polymorphic forms, and therapeutic uses thereof 2020-05-05
WO-2021222522-A1 Cd73 inhibiting 2,4-dioxopyrimidine compounds 2020-05-01
WO-2021177290-A1 Method for producing mono-cross-coupled aromatic compound having leaving group 2020-03-02
WO-2021142155-A1 Processes for preparing triazole glycolate oxidase inhibitors 2020-01-08
WO-2021045207-A1 Mechanoredox reaction using piezoelectric material, and production method using said reaction 2019-09-06
EP-3764434-A1 Elimination of voltage-delays and stabilisation of impedance through electrolyte additives in alkaline metal chemical cells 2019-07-10
JP-2020138938-A Method for producing aniline compound using diboron derivative 2019-02-28
WO-2020085396-A1 Solvent-free cross-coupling reaction, and production method using said reaction 2018-10-23
EP-3872055-A1 Solvent-free cross-coupling reaction, and production method using said reaction 2018-10-23
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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