3-Fluoro-4-methylphenol Chemical Properties

Melting point:

72 °C

Boiling point:

196 °C

Density 

1.17

refractive index 

1.5150

Flash point:

29 °C

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to lump

pka

9.27±0.18(Predicted)

color 

White to Light yellow to Light orange

Odor

Phenol-like

InChI

InChI=1S/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

InChIKey

GJOOCAXPERKNMN-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

452-78-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

21/22-34-52-36-22

Safety Statements 

26-36/37/39-60-45

RIDADR 

2922

Hazard Note 

Irritant

HazardClass 

8

HS Code 

29081990

3-Fluoro-4-methylphenol Usage And Synthesis

Uses

3-Fluoro-4-methylphenol is a phenolic derivative and can be used as a pharmaceutical intermediate.

Synthesis

3-Fluoro-4-methylaniline (5g, 39.95Immol) was dissolved in 10% sulfuric acid aqueous solution (100ml). Thereafter, the temperature was lowered to 0°C. thereto sodium nitrate (5.5g, 79.902mmol) was added, and the reaction mixture was stirred at same temperature for 30 minutes. Then the reaction mixture was stirred at 50°C for 30 minutes, and the last time, stirred at 80°C for 5 hours. Ice water was added to quench the reaction, and aqueous layer was extracted with ethyl acetate. Combined organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was purified by column chromatography (n-hexane:ethyl acetate = 8:1) to give 2.26g (yield: 44.8%, colorless oil) of the target compound. 3-fluoro-4-methylphenol, yield 2.26g, 44.8% 1H NMR(400MHz, CDCl3): 6.98(1, J=8.6Hz, 1H), 6.52(m, 2H), 5.82(br, 1H), 2.12(s, 3H).

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