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CAS No.: | 13826-27-2 |
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Name: | 2,2'-Bis-1,3,2-benzodioxaborole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H8B2O4 |
Molecular Weight: | 237.815 |
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; |
Density: | 1.314 g/cm3 |
Melting Point: | 189-196 °C(lit.) |
Boiling Point: | 314.988 °C at 760 mmHg |
Flash Point: | 144.3 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 36.92000 |
LogP: | 2.12100 |
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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