4-Fluoro-1,3-benzenediol Chemical Properties

Melting point:

96-100 °C

Boiling point:

240.8±10.0 °C(Predicted)

Density 

1.415±0.06 g/cm3(Predicted)

storage temp. 

-20°C

solubility 

DMSO, Methanol

form 

Solid

pka

8.49±0.10(Predicted)

color 

Brown

InChI

InChI=1S/C6H5FO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

InChIKey

XPOIJNIQXJYQOV-UHFFFAOYSA-N

SMILES

C1(O)=CC=C(F)C(O)=C1

CAS DataBase Reference

103068-41-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

20/21/22-34-36/37/38-22

Safety Statements 

26-36/37/39

RIDADR 

1759

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2908190090

4-Fluoro-1,3-benzenediol Usage And Synthesis

Chemical Properties

4-Fluoro-1,3-benzenediol is Brown Solid

Uses

4-Fluoro-1,3-benzenediol is used in the preparation of fluorescent dyes and indicators.

Uses

Reagent used in the preparation of fluorescent dyes and indicators.

Synthesis

GENERAL METHODS: A mixture of resorcinol (20 mg), F-TEDA-BF4 (1.1 eq.), ionic liquid (IL, 0-15 eq.), and organic solvents (5 mL) was subjected to stirring under an argon atmosphere at different temperatures (cf. Tables 1-5) for 5 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the resulting product was dissolved in CDCl3 or CDCl3-DMSO-d6 and analyzed by 1H NMR and 19F NMR. Peak area integration was performed using Cl2CHCHCl2 and PhCF3 as internal standards.

References

[1] Journal of Medicinal Chemistry, 2005, vol. 48, # 16, p. 5295 - 5304
[2] Arkivoc, 2017, vol. 2018, # 2, p. 60 - 71

4-Fluoro-1,3-benzenediol(103068-41-3)Related Product Information

• 2,4-DIMETHOXY-1-FLUOROBENZENE
• 3-Fluoro-1,2-benzenediol
• 4-Fluoro-1,2-benzenediol
• TETRAFLUOROBENZENE-1,3-DIOL
• 6,8-Difluoro-4-methylumbelliferyl-b-D-glucopyranoside
• 6,8-DIFLUORO-4-METHYL-UMBELLIFERYL PHOSPHATE
• 6,8-DIFLUORO-7-ETHOXY-4-METHYLCOUMARIN
• 2',7'-DIFLUOROFLUORESCEIN
• 6,8-DIFLUORO-7-HYDROXY-4-METHYLCOUMARIN
• 6,8-DIFLUORO-4-HEPTADECYL-7-HYDROXYCOUMARIN
• 4-CHLOROMETHYL-6,8-DIFLUOROUMBELLIFERYL-BETA-D-GALACTOPYRANOSIDE
• 3-Fluoro-1,2-benzenediol diacetate
• 6,8-DIFLUORO-4-METHYLUMBELLIFERYL BETA-D-GLUCURONIDE, LITHIUM SALT
• 4-CHLOROMETHYL-6,8-DIFLUORO-7-ETHOXYCOUMARIN
• 5-(AND-6)-CARBOXY-2',7'-DIFLUORODIHYDROFLUORESCEIN DIACETATE
• 6,8-DIFLUORO-4-METHYLUMBELLIFERYL BETA-D-GALACTOPYRANOSIDE
• 6,8-DIFLUORO-4-HEPTADECYLUMBELLIFERYL BETA-D-GALACTOPYRANOSIDE
• MARINA BLUE(R) HYDRAZIDE