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
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.
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) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  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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