Bis(catecholato)diborane supplier

Name
2,2'-Bis-1,3,2-benzodioxaborole
EINECS
CAS No. 13826-27-2
Article Data3
CAS DataBase
Density 1.314 g/cm³
Solubility
Melting Point 189-196 °C(lit.)
Formula C₁₂H₈B₂O₄
Boiling Point 314.988 °C at 760 mmHg
Molecular Weight 237.815
Flash Point 144.3 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1,3,2-Benzodioxaborole,bimol. deriv.;Bis(catecholato)diborane(4);Bis(catecholato)diboron;Bis(catecholato-O,O')diboron;2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole;2,2'-Bi-1,3,2-benzodioxaborole;
PSA 36.92000
LogP 2.12100

Bis(catecholato)diborane Specification

The Bis(catecholato)diborane, with the CAS registry number 13826-27-2, has the systematic name of 2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₈B₂O₄.

The characteristics of Bis(catecholato)diborane are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 36.92 Å²; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 61.272 cm³; (7)Molar Volume: 180.924 cm³; (8)Polarizability: 24.29×10^-24cm³; (9)Surface Tension: 43.427 dyne/cm; (10)Density: 1.314 g/cm³; (11)Flash Point: 144.3 °C; (12)Enthalpy of Vaporization: 53.403 kJ/mol; (13)Boiling Point: 314.988 °C at 760 mmHg; (14)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B1(Oc2ccccc2O1)B3Oc4ccccc4O3
(2InChI: InChI=1/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
(3)InChIKey: WYBQOWXCLDXZNR-UHFFFAOYAT

Product Name

2,2'-Bis-1,3,2-benzodioxaborole

Bis(catecholato)diborane Specification

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