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9,9-Di-(2'-ethylhexyl)-2,7-dibromofluorene

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Name

9,9-Di-(2'-ethylhexyl)-2,7-dibromofluorene

EINECS 201-215-5
CAS No. 188200-93-3 Density 1.21 g/cm3
PSA 0.00000 LogP 10.69110
Solubility N/A Melting Point N/A
Formula C29H40Br2 Boiling Point 559.6 °C at 760 mmHg
Molecular Weight 548.445 Flash Point 336.5 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 188200-93-3 (9 9-DI-(2'-ETHYLHEXYL)-2 7-DIBROMOFLUOR&) Hazard Symbols N/A
Synonyms

9 9-DI-(2-ETHYLHEXYL)-2 7-DIBROMOFLUOR&;9,9-DI(2-ETHYLHEXYL)-2,7-DIBROMOFLUORENE,98%;9,9-Di-(2-ethylhexyl)-2,7-dibromofluorene;2,7-Dibromo-9,9-bis(2-ethylhexyl)-9H-fluorene

Article Data 9

9,9-Di-(2'-ethylhexyl)-2,7-dibromofluorene Specification

The 9,9-Di-(2'-ethylhexyl)-2,7-dibromofluorene is an organic compound with the formula C29H40Br2. With the CAS registry number 188200-93-3, the systematic name of this chemical is 2,7-dibromo-9,9-bis(2-ethylhexyl)-9H-fluorene. The product's categories are Organic Electronics and Photonics; Polyfluorene (PFO, PFE) Monomers; Synthetic Tools and Reagents. Besides, it should be stored in a closed cool and dry place.

Physical properties about 9,9-Di-(2'-ethylhexyl)-2,7-dibromofluorene are: (1)ACD/LogP: 13.81; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.81; (4)ACD/LogD (pH 7.4): 13.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 143.24 cm3; (12)Molar Volume: 453.1 cm3; (13)Polarizability: 56.78×10-24cm3; (14)Surface Tension: 39 dyne/cm; (15)Density: 1.21 g/cm3; (16)Flash Point: 336.5 °C; (17)Enthalpy of Vaporization: 81.06 kJ/mol; (18)Boiling Point: 559.6 °C at 760 mmHg; (19)Vapour Pressure: 5.6E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc2c1ccc(Br)cc1C(c2c3)(CC(CC)CCCC)CC(CC)CCCC
(2)InChI: InChI=1/C29H40Br2/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30)13-15-25(27)26-16-14-24(31)18-28(26)29/h13-18,21-22H,5-12,19-20H2,1-4H3
(3)InChIKey: WSBUZOZAKDVRTK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C29H40Br2/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30)13-15-25(27)26-16-14-24(31)18-28(26)29/h13-18,21-22H,5-12,19-20H2,1-4H3
(5)Std. InChIKey: WSBUZOZAKDVRTK-UHFFFAOYSA-N

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