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HomeProduct name list3-Fluoro-4-methylphenol

3-Fluoro-4-methylphenol

  • CAS NO.:452-78-8
  • Empirical Formula: C7H7FO
  • Molecular Weight: 126.13
  • MDL number: MFCD00143164
  • EINECS: 200-110-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-05 20:55:42
3-Fluoro-4-methylphenol Structural

What is 3-Fluoro-4-methylphenol?

The Uses of 3-Fluoro-4-methylphenol

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).
3-Fluoro-4-methylphenol synthesis

Properties of 3-Fluoro-4-methylphenol

Melting point: 72 °C
Boiling point: 196 °C
Density  1.17
Flash point: 29 °C
refractive index  1.5150
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
CAS DataBase Reference 452-78-8(CAS DataBase Reference)

Safety information for 3-Fluoro-4-methylphenol

Signal word Warning
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H314:Skin corrosion/irritation
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P309:IF exposed or if you feel unwell:
P310:Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P501:Dispose of contents/container to..…

Computed Descriptors for 3-Fluoro-4-methylphenol

InChIKey GJOOCAXPERKNMN-UHFFFAOYSA-N
SMILES C1(O)=CC=C(C)C(F)=C1

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