1-BROMO-4-FLUORONAPHTHALENE Chemical Properties

Melting point:

35-38 °C (lit.)

Boiling point:

110-115 °C(Press: 2 Torr)

Density 

1.563±0.06 g/cm3(Predicted)

Flash point:

>230 °F

storage temp. 

Sealed in dry,2-8°C

solubility 

Chloroform (Slightly), DMSO (Slightly)

form 

Solid

color 

White

BRN 

2085804

InChI

InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

InChIKey

VAUJZKBFENPOCH-UHFFFAOYSA-N

SMILES

C1(Br)=C2C(C=CC=C2)=C(F)C=C1

CAS DataBase Reference

341-41-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29039990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

1-BROMO-4-FLUORONAPHTHALENE Usage And Synthesis

Chemical Properties

Solid

Uses

1-Bromo-4-fluoronaphthalene is the starting material for the synthesis of Fluorobenzo[c]fluoren (F588435) which is a polycyclic aromatic hydrocarbon used in materials science extensively due to utility in organic electronics, light emitting diodes and solar cells.

Synthesis

General procedure for the synthesis of 1-bromo-4-fluoronaphthalene from 1-fluoronaphthalene: 1-fluoronaphthalene (20.0 g, 0.137 mol) was added to a 500 mL single-necked flask with carbon tetrachloride (120.0 mL), and bromine (10.9 g, 0.068 mol) was added dropwise slowly, followed by heating and refluxing for 2 hours. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure and then the concentrate was poured into methanol (80.0 mL). The solid was allowed to precipitate overnight at room temperature to give 28.2 g of 1-bromo-4-fluoronaphthalene in 91.5% yield.

References

[1] Patent: CN106478376, 2017, A. Location in patent: Paragraph 0009; 0020; 0021; 0029; 0030; 0038; 0039; 0047
[2] Journal of Medicinal Chemistry, 2004, vol. 47, # 6, p. 1575 - 1586
[3] Justus Liebigs Annalen der Chemie, 1931, vol. 487, p. 270,282
[4] Patent: US2001/49379, 2001, A1
[5] Patent: US6211208, 2001, B1

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