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55135-66-5

Basic Information
CAS No.: 55135-66-5
Name: 9-Bromo-9-phenylfluorene
Article Data: 15
Molecular Structure:
Molecular Structure of 55135-66-5 (9-Bromo-9-phenylfluorene)
Formula: C19H13Br
Molecular Weight: 321.216
Synonyms: Fluorene,9-bromo-9-phenyl- (6CI,7CI);9-Bromo-9-phenyl-9H-fluorene;9-Phenylfluorenyl bromide;NSC 28079;
EINECS: -0
Density: 1.426 g/cm3
Melting Point: 99-101 °C(lit.)
Boiling Point: 394.324 °C at 760 mmHg
Flash Point: 172.533 °C
Solubility: Insoluble in water
Appearance: Yellow Crystalline Solid
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-27-28-36/37/39-45
Transport Information: UN 3261
PSA: 0.00000
LogP: 5.35380
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Specification

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%.

9-Bromo-9-phenylfluorene can be prepared by 9-phenyl-fluorene by heating

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%.

9-Bromo-9-phenylfluorene can be used to produce 9-methyl-9-phenyl-fluorene at the temperature of 80 °C

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