4-Fluoro-2-methylphenol Chemical Properties

Melting point:

37-38 °C (lit.)

Boiling point:

87 °C/14 mmHg (lit.)

Density 

1.1514 (estimate)

refractive index 

1.5155-1.5175

Flash point:

185 °F

storage temp. 

Inert atmosphere,Room Temperature

pka

10.32±0.18(Predicted)

form 

Low Melting Solid or Liquid

color 

Off-white to brownish

Water Solubility 

Insoluble in water.

BRN 

2041490

Major Application

environmental

InChI

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

InChIKey

GKQDDKKGDIVDAG-UHFFFAOYSA-N

SMILES

C1(O)=CC=C(F)C=C1C

CAS DataBase Reference

452-72-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-21/22

Safety Statements 

26-36/37/39

RIDADR 

UN 1325 4.1/PG 2

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

8

HS Code 

29081990

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

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

4-Fluoro-2-methylphenol Usage And Synthesis

Chemical Properties

Off-white to brownish low melting solid or liquid

Uses

4-Fluoro-2-methylphenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

General Description

Laccase mediated grafting of 4-fluoro-2-methylphenol with lignin model compound, dibenzodioxocin and lignocellulose material has been investigated.

Synthesis

Add 70g of water and 26g of concentrated sulfuric acid to the 250mL reaction flask (pay attention to exothermic, add concentrated sulfuric acid to water slowly, the same below), add 17.5g of 4-fluoro-2-methylaniline at room temperature while stirring, a white solid was produced, raise the temperature to 100~105 ??, completely dissolved, and reduce the temperature to 0 ??; slowly add 44.5g of nitrosyl sulfuric acid dropwise, control the temperature at -5~5 ??, hold the heat after dropwise The reaction solution was clarified for 2h to obtain the diazo solution. In another 250mL reaction bottle add 66g of water and 19g of concentrated sulfuric acid, warming to 110 ??, drop into the above prepared diazo liquid, control the drop acceleration, drop and add the side of water vapor distillation, so that the oil droplets continue to evaporate, the temperature is controlled at 110 ?? ~ 115 ??; drop and add the completion of the distillation continued for 2 hours, until no oil droplets evaporated; separation of the oil layer, add 11.1g content of 1% aqueous sodium hydroxide solution to wash, and the oil layer, the top temperature of 80 ??, and then the oil layer, the top temperature is 0 ??, the top temperature of 80 ??, the top temperature is 0 ??. Separate the oil layer, the top temperature of 80 ~ 90 ?? _x000D _ 10mmHg distillation, the product 4-fluoro-2-methylphenol 14.8g, GC: 99.5%, yield 83%.

References

[1] Tetrahedron Letters, 2011, vol. 52, # 41, p. 5338 - 5341

4-Fluoro-2-methylphenol(452-72-2)Related Product Information

• m-Cresol
• 3-(Trifluoromethyl)benzaldehyde
• Cresol
• o-Cresol
• 4-Fluorophenol
• Xylenol
• 3-Ethylphenol
• 2,6-Dimethylphenol
• p-Cresol
• 4-FLUORO-2-(TRIFLUOROMETHYL)PHENOL
• 3',5'-DIFLUORO-2'-HYDROXYACETOPHENONE
• 4'-CHLORO-5-FLUORO-2-HYDROXYBENZOPHENONE
• 6-Fluoro-4-chromanone
• 8-(CHLOROMETHYL)-6-FLUORO-4H-1,3-BENZODIOXINE
• 5-Fluorosalicylic acid
• 2-ETHYL-4-FLUOROPHENOL
• Fluorine
• 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone