2-Bromo-9-fluorenone

Catalog Number

ACM3096568-1

CAS

3096-56-8

Structure

Synonyms

2-Bromo-9-fluorenone,300128_ALDRICH,ZINC00133342,CID725831,ST5307776,TL8002372,3096-56-8

IUPAC Name

2-bromofluoren-9-one

Molecular Weight

259.1

Molecular Formula

C13H7BrO

Canonical SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H

InChI Key

MTCARZDHUIEYMB-UHFFFAOYSA-N

Boiling Point

143 - 149 °C

Melting Point

392.8 °C at 760mmHg

Flash Point

131.3ºC

Purity

95%+

Density

1.609 g/ml

Appearance

Yellow needle-like crystal

Application

2-Bromo-9-fluorenone serves as a versatile organic intermediate, primarily recognized for its role in the development of liquid crystal materials and as a critical component in the production of OLEDs. As a brominated derivative of 9-Fluorenone, it is employed in the synthesis of various functional materials, including antimalarial drugs, spirobifluorene ligands, and altitudinal molecular motors. Furthermore, it acts as an end-capping agent for poly(9,9-dialkylfluorene-2,7-diyl) derivatives and is involved in the synthesis of 2-bromo-9-hydroxy-9-(2-biphenyl)fluorene. Its solubility varies significantly with temperature, ranging from a mole fraction of 0.0526 in 1,4-dioxane at 323.15 K to 0.0002 in methanol at 278.15 K, demonstrating increased solubility with rising temperatures across different solvents.

• Catalog Number: ACM3096568-1
• CAS: 3096-56-8
• Synonyms: 2-Bromo-9-fluorenone,300128_ALDRICH,ZINC00133342,CID725831,ST5307776,TL8002372,3096-56-8
• IUPAC Name: 2-bromofluoren-9-one
• Molecular Weight: 259.1
• Molecular Formula: C13H7BrO
• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br
• InChI: InChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
• InChI Key: MTCARZDHUIEYMB-UHFFFAOYSA-N
• Boiling Point: 143 - 149 °C
• Melting Point: 392.8 °C at 760mmHg
• Flash Point: 131.3ºC
• Purity: 95%+
• Density: 1.609 g/ml
• Appearance: Yellow needle-like crystal
• Application: 2-Bromo-9-fluorenone serves as a versatile organic intermediate, primarily recognized for its role in the development of liquid crystal materials and as a critical component in the production of OLEDs. As a brominated derivative of 9-Fluorenone, it is employed in the synthesis of various functional materials, including antimalarial drugs, spirobifluorene ligands, and altitudinal molecular motors. Furthermore, it acts as an end-capping agent for poly(9,9-dialkylfluorene-2,7-diyl) derivatives and is involved in the synthesis of 2-bromo-9-hydroxy-9-(2-biphenyl)fluorene. Its solubility varies significantly with temperature, ranging from a mole fraction of 0.0526 in 1,4-dioxane at 323.15 K to 0.0002 in methanol at 278.15 K, demonstrating increased solubility with rising temperatures across different solvents.