9-Bromo-9-phenylfluorene

The 9-Bromo-9-phenylfluorene, with the CAS registry number 55135-66-5, is also known as 9-Phenylfluorenyl bromide. It belongs to the product categories of Aromatics Compounds; Fluorenes; Fluorenes & Fluorenones; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry; Chiral Compound; Aromatics; Aryl; C13 to C37+; Halogenated Hydrocarbons; Intermediates. Its EINECS number is 257-356-7. This chemical's molecular formula is C₁₉H₁₃Br and molecular weight is 321.21. What's more, its systematic name is 9-Bromo-9-phenyl-9H-fluorene. This chemical is used as a pharmaceutical intermediate.

Physical properties of 9-Bromo-9-phenylfluorene are: (1)ACD/LogP: 5.147; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.15; (5)ACD/BCF (pH 5.5): 4804.21; (6)ACD/BCF (pH 7.4): 4804.21; (7)ACD/KOC (pH 5.5): 15027.87; (8)ACD/KOC (pH 7.4): 15027.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 85.931 cm³; (14)Molar Volume: 225.309 cm³; (15)Polarizability: 34.066×10^-24cm³; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.426 g/cm³; (18)Flash Point: 172.533 °C; (19)Enthalpy of Vaporization: 61.918 kJ/mol; (20)Boiling Point: 394.324 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 9-Bromo-9-phenylfluorene: this chemical can be prepared by 9-phenyl-fluorene by heating. This reaction will need reagent N-bromosuccinimide and solvent CCl₄ with the reaction time of 1 hour. The yield is about 96%.

Uses of 9-Bromo-9-phenylfluorene: it can be used to produce 9-methyl-9-phenyl-fluorene at the temperature of 80 °C. It will need reagent PdCl₂(PPh₃)₄ and solvent benzene with the reaction time of 12 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). You should take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrC3(c1ccccc1c2c3cccc2)c4ccccc4
(2)Std. InChI: InChI=1S/C19H13Br/c20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
(3)Std. InChIKey: HYQXNCDBSALQLB-UHFFFAOYSA-N