2-Bromo-9,9-dioctyl-9H-fluorene

Basic Information

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CAS Number

302554-80-9

Molecular Formula

C29H41Br

Molecular Weight

469.55 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

120°C

Flash Point

260.074 °C

Refractive Index

1.5520 to 1.5560

SMILES

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CCCCCCCCC1(CCCCCCCC)C2=C(C3=C1C=CC=C3)C=CC(Br)=C2

InChI

InChI=1S/C29H41Br/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3

InChIKey

ITVGRPGDCPNGHZ-UHFFFAOYSA-N

LogP

10.216799999999994

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Bromo-9,9-dioctyl fluorene
2-Bromo-9,9-di-n-octylfluorene
2-BROMO-9,9-(DI-N-OCTYL)-9H-FLUORENE
2-Bromo-9,9-dioctyl-9H-fluorene
2-bromo 9,9-dioctylfluorene
2-bromo-9,9-dioctyfluorene
9H-Fluorene,2-bromo-9,9-dioctyl
QC-552
RB3184

MDL Number

MFCD12024273

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9)?

2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9) is a solid with a crystalline form. It has a molecular weight of approximately 637.4 g/mol and is poorly soluble in water but soluble in organic solvents like chloroform and toluene. Chemically, it is reactive with nucleophiles and can undergo substitution reactions. It has limited reactivity with electrophiles at room temperature.

How is 2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9) typically synthesized?

2-Bromo-9,9-dioctyl-9H-fluorene is typically synthesized through a bromination reaction of 9,9-dioctyl-9H-fluorene with bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction is carried out at low temperatures to control the selectivity and yield, which is typically around 90%.

What industries use 2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9)?

2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9) is used in the pharmaceutical industry for the synthesis of certain organic compounds, in the polymer industry for the production of thermoplastics and elastomers, and in the semiconductor industry for the fabrication of organic light-emitting diodes (OLEDs) and photovoltaic materials.

What precautions should be taken when handling 2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9)?

When handling 2-Bromo-9,9-dioctyl-9H-fluorene (CAS: 302554-80-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be ventilated. Always consult a safety data sheet (SDS) for specific handling instructions and emergency procedures.