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
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 |
