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226070-05-9

Basic Information
CAS No.: 226070-05-9
Name: 2-Bromo-9,9-dihexyl fluorene
Article Data: 41
Molecular Structure:
Molecular Structure of 226070-05-9 (2-Bromo-9,9-dihexyl fluorene)
Formula: C25H33Br
Molecular Weight: 413.441
Synonyms: 2-Bromo-9,9-di-n-hexylfluorene;2-Bromo-9,9-dihexyl-9H-fluorene;
EINECS: 810-930-6
Density: 1.116 g/cm3
Boiling Point: 485.3 °C at 760 mmHg
Flash Point: 234.6 °C
PSA: 0.00000
LogP: 8.65640
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    2-Bromo-9,9-dihexyl-9-H-fluorene

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    Chemical Name:2-Bromo-9,9-dihexyl-9-H-fluorene Name/Synornyms:2-Bromo-9,9-dihexyl-9-H-fluorene CAS No.:226070-05-9 Molecular Formula:C25H33Br M.W.:413 Appearance:Yellow liquid Purity:≥98%(by HPLC) NMR Spectrum:Complies with the str

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Specification

The 9H-Fluorene, 2-bromo-9,9-dihexyl-, with the CAS registry number 226070-05-9, is also known as 2-Bromo-9,9-di-n-hexylfluorene. This chemical's molecular formula is C25H33Br and molecular weight is 413.43. What's more, its systematic name is 2-bromo-9,9-dihexyl-9H-fluorene.

Physical properties of 9H-Fluorene, 2-bromo-9,9-dihexyl- are: (1)ACD/LogP: 11.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.28; (4)ACD/LogD (pH 7.4): 11.28; (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: 10; (10)Index of Refraction: 1.545; (11)Molar Refractivity: 117.1 cm3; (12)Molar Volume: 370.1 cm3; (13)Polarizability: 46.42×10-24cm3; (14)Surface Tension: 39.5 dyne/cm; (15)Density: 1.116 g/cm3; (16)Flash Point: 234.6 °C; (17)Enthalpy of Vaporization: 72.22 kJ/mol; (18)Boiling Point: 485.3 °C at 760 mmHg; (19)Vapour Pressure: 4.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc3c1ccccc1C(CCCCCC)(CCCCCC)c3c2
(2)Std. InChI: InChI=1S/C25H33Br/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3
(3)Std. InChIKey: NNYSRQDAPSNOKV-UHFFFAOYSA-N