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Basic Information
CAS No.: 171408-76-7
Name: 2-Bromo-9,9'-spirobi[9H-fluorene]
Article Data: 30
Molecular Structure:
Molecular Structure of 171408-76-7 (2-Bromo-9,9'-spirobi[9H-fluorene])
Formula: C25H15Br
Molecular Weight: 395.298
Synonyms: 2-Bromo-9,9'-spirobi[9H-fluorene];2-Bromo-9-spirobifluorene;
EINECS: 605-609-0
Density: 1.522 g/cm3
Melting Point: 184 °C
Boiling Point: 517.213 °C at 760 mmHg
Flash Point: 259.774 °C
Appearance: off-white crystal
Safety: 24/25
PSA: 0.00000
LogP: 6.79260
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    2-Bromo-9,9'-spirobi[9H-fluorene] Basic information Product Name: 2-Bromo-9,9'-spirobi[9H-fluorene] Synonyms: 9,9′-Spirobi[9H-fluorene],2′-bromo;2-BROMO-9,9''-SPIROBIFLUOROENE;2-Bromo-9,9'-spirobi[9H-fluorene];2

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Specification

The 2-Bromo-9,9'-spirobifluorene, with the CAS registry number 171408-76-7, is also known as 9,9'-Spirobi[9H-fluorene], 2-bromo-. It belongs to the product category of Fluorene Derivatives. This chemical's molecular formula is C25H15Br and molecular weight is 395.2906. Its systematic name is called 2-bromo-9,9'-spirobi[fluorene]. This chemical can be used as intermediates of organic light-emitting diode.

Physical properties of 2-Bromo-9,9'-spirobifluorene: (1)ACD/LogP: 8.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 195524; (6)ACD/BCF (pH 7.4): 195524; (7)ACD/KOC (pH 5.5): 213313; (8)ACD/KOC (pH 7.4): 213313; (9)Index of Refraction: 1.782; (10)Molar Refractivity: 109.134 cm3; (11)Molar Volume: 259.723 cm3; (12)Surface Tension: 68.204 dyne/cm; (13)Density: 1.522 g/cm3; (14)Flash Point: 259.774 °C; (15)Enthalpy of Vaporization: 75.969 kJ/mol; (16)Boiling Point: 517.213 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc3c1ccccc1C6(c3c2)c4ccccc4c5ccccc56
(2)InChI: InChI=1/C25H15Br/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H
(3)InChIKey: ONCCVJKFWKAZAE-UHFFFAOYAI