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HomeProduct name list4-Amino-3-fluorophenol

4-Amino-3-fluorophenol

  • CAS NO.:399-95-1
  • Empirical Formula: C6H6FNO
  • Molecular Weight: 127.12
  • MDL number: MFCD00077452
  • EINECS: 402-230-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-21 22:41:43
4-Amino-3-fluorophenol Structural

What is 4-Amino-3-fluorophenol?

Description

4-amino-3-fluorophenol, a light yellow to brown power, is the raw material of a kind of application medicine, a pesticidal active substance very widely, is a fluorinated insecticide, Phenoxymethyl acetate esters, and benzo pyrrole ketone herbicide, the intermediate of antibacterial and hair dye, etc. Fluoro substituents in the 4-amino-3-fluorophenol molecule increase the lipophile of the whole molecule greatly, thus adding to the membrane permeability of this molecule so that it is suitable as the active component intermediate of some medicines.
4-Amino-3-fluorophenol

Chemical properties

Dark Brown Solid

Synthesis

Using p-nitrophenol as raw material, after catalytic hydrogenation, a sulfonation reaction is performed first, and then a fluorine substitution reaction is performed to substitute the fluorine at the 3-position. Afterwards, a desulfonation reaction was carried out, and the target product 4-Amino-3-fluorophenol was obtained through extraction.

Properties of 4-Amino-3-fluorophenol

Melting point: 135-137°C
Boiling point: 270.4±25.0 °C(Predicted)
Density  1.347±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  soluble in Methanol
form  powder to crystal
pka 9.23±0.18(Predicted)
color  Light yellow to Brown
InChI InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
CAS DataBase Reference 399-95-1(CAS DataBase Reference)

Safety information for 4-Amino-3-fluorophenol

Signal word Danger
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
ghs
Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H350:Carcinogenicity
H401:Hazardous to the aquatic environment, acute hazard
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
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.
P272:Contaminated work clothing should not be allowed out of the workplace.
P273:Avoid release to the environment.
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.
P391:Collect spillage. Hazardous to the aquatic environment
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

Computed Descriptors for 4-Amino-3-fluorophenol

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

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