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9,9-Dioctyl-9H-9-silafluorene-2,7-bis(boronic acid pinacol ester)

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Name

9,9-Dioctyl-9H-9-silafluorene-2,7-bis(boronic acid pinacol ester)

EINECS N/A
CAS No. 958293-23-7 Density 1.01 g/cm3
PSA 36.92000 LogP 8.54940
Solubility N/A Melting Point 115-120℃
Formula C40H64B2O4Si Boiling Point 682.2 °C at 760 mmHg
Molecular Weight 658.653 Flash Point 366.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 958293-23-7 (9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-9-silafluorene) Hazard Symbols N/A
Synonyms

9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-9-silafluorene;2-[5,5-dioctyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzosilol-8-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;

Article Data 5

9,9-Dioctyl-9H-9-silafluorene-2,7-bis(boronic acid pinacol ester) Specification

The CAS register number of 9,9-Dioctyl-9H-9-silafluorene-2,7-bis(boronic acid pinacol ester) is 958293-23-7. It also can be called as 9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-9-silafluorene and the systematic name about this chemical is 2-[5,5-dioctyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b][1]benzosilol-8-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. The molecular formula about this chemical is C40H64B2O4Si and molecular weight is 658.64. 

Physical properties about 9,9-Dioctyl-9H-9-silafluorene-2,7-bis(boronic acid pinacol ester) are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 16; (3)Polar Surface Area: 36.92Å2; (4)Index of Refraction: 1.52; (5)Molar Refractivity: 197.66 cm3; (6)Molar Volume: 649.6 cm3; (7)Polarizability: 78.36x10-24cm3; (8)Surface Tension: 36.6 dyne/cm; (9)Enthalpy of Vaporization: 96.48 kJ/mol; (10)Boiling Point: 682.2 °C at 760 mmHg; (11)Vapour Pressure: 1.08E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c3cc4c2cc(ccc2[Si](CCCCCCCC)(CCCCCCCC)c4cc3)B5OC(C)(C)C(C)(C)O5
(2)InChI: InChI=1/C40H64B2O4Si/c1-11-13-15-17-19-21-27-47(28-22-20-18-16-14-12-2)35-25-23-31(41-43-37(3,4)38(5,6)44-41)29-33(35)34-30-32(24-26-36(34)47)42-45-39(7,8)40(9,10)46-42/h23-26,29-30H,11-22,27-28H2,1-10H3
(3)InChIKey: DUNRDGIHRYVBTA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C40H64B2O4Si/c1-11-13-15-17-19-21-27-47(28-22-20-18-16-14-12-2)35-25-23-31(41-43-37(3,4)38(5,6)44-41)29-33(35)34-30-32(24-26-36(34)47)42-45-39(7,8)40(9,10)46-42/h23-26,29-30H,11-22,27-28H2,1-10H3
(5)Std. InChIKey: DUNRDGIHRYVBTA-UHFFFAOYSA-N

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