4-Amino-3-fluorophenol

4-Amino-3-fluorophenol Property

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

pka

9.23±0.18(Predicted)

form 

powder to crystal

color 

Light yellow to Brown

InChI

InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2

InChIKey

MNPLTKHJEAFOCA-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

399-95-1(CAS DataBase Reference)

Safety

Hazard Codes 

T,Xi,N

Risk Statements 

22-43-45-51/53

Safety Statements 

45-53-61

RIDADR 

3077

Hazard Note 

Toxic

HazardClass 

9

PackingGroup 

III

HS Code 

29214990

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H317May cause an allergic skin reaction

H350May cause cancer

H401Toxic to aquatic life

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P201Obtain special instructions before use.

P202Do not handle until all safety precautions have been read and understood.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P272Contaminated work clothing should not be allowed out of the workplace.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P308+P313IF exposed or concerned: Get medical advice/attention.

P309IF exposed or if you feel unwell:

P310Immediately call a POISON CENTER or doctor/physician.

P391Collect spillage. Hazardous to the aquatic environment

P405Store locked up.

P501Dispose of contents/container to..…

4-Amino-3-fluorophenol Chemical Properties,Usage,Production

Uses

4-Amino-3-fluorophenol is a compound that can be used in organic synthesis.

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.

References

[1] Patent: US2005/277652, 2005, A1. Location in patent: Page/Page column 72-73
[2] Patent: WO2006/124118, 2006, A1. Location in patent: Page/Page column 74
[3] Patent: WO2005/9961, 2005, A2. Location in patent: Page/Page column 46
[4] Patent: WO2008/89388, 2008, A2. Location in patent: Page/Page column 16
[5] Patent: WO2008/89389, 2008, A2. Location in patent: Page/Page column 13