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196207-58-6

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Basic Information
CAS No.: 196207-58-6
Name: (2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-9,9-DIOCTYLFLUORENE)
Article Data: 69
Molecular Structure:
Molecular Structure of 196207-58-6 ((2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-9,9-DIOCTYLFLUORENE))
Formula: C41H64B2O4
Molecular Weight: 642.579
Synonyms: (2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-9,9-DIOCTYLFLUORENE)
Density: 1.019 g/cm3
Melting Point: 129 °C
Boiling Point: 701.622 °C at 760 mmHg
Flash Point: 378.127 °C
Solubility: Slightly soluble in water.
Safety: 24/25
PSA: 36.92000
LogP: 10.05270
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Specification

This chemical is called 9,9-Dioctylfluorene-2,7-bis(boronic acid pinacol ester, and its systematic name is 2,2'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane). With the molecular formula of C41H64B2O4, its molecular weight is 642.57. The CAS registry number of this chemical is 196207-58-6.

Other characteristics of the 9,9-Dioctylfluorene-2,7-bis(boronic acid pinacol ester can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 16; (4)Polar Surface Area: 36.92 Å2; (5)Index of Refraction: 1.526; (6)Molar Refractivity: 193.546 cm3; (7)Molar Volume: 630.781 cm3; (8)Polarizability: 76.728×10-24cm3; (9)Surface Tension: 38.856 dyne/cm; (10)Density: 1.019 g/cm3; (11)Flash Point: 378.127 °C; (12)Enthalpy of Vaporization: 99.021 kJ/mol; (13)Boiling Point: 701.622 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC1(C)OB(OC1(C)C)c3ccc4c2ccc(cc2C(CCCCCCCC)(CCCCCCCC)c4c3)B5OC(C)(C)C(C)(C)O5
2.InChI: InChI=1/C41H64B2O4/c1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43/h23-26,29-30H,11-22,27-28H2,1-10H3
3.InChIKey: FAHIZHKRQQNPLC-UHFFFAOYAZ