4-Amino-3-fluorophenol CAS 399-95-1
Introduction：Basic information about 4-Amino-3-fluorophenol CAS 399-95-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Amino-3-fluorophenol Basic information
| Product Name: | 4-Amino-3-fluorophenol |
| Synonyms: | 4-AMINO-3-FLUOROPHENOL;4-Amino-3-fluorphenol;3-FLUORO-4-AMINOPHENOL;BUTTPARK 33\04-79;IFLAB-BB F2108-0045;Aminofluorophenol3;4-Amino-3-Fluorophenol 3-Fluoro-4-Aminophenol;2-FLUORO-4-YDROXYANILINE |
| CAS: | 399-95-1 |
| MF: | C6H6FNO |
| MW: | 127.12 |
| EINECS: | 402-230-0 |
| Product Categories: | Phenol&Thiophenol&Mercaptan;Aromatic Phenols;Amines;Aromatics;Miscellaneous Reagents |
| Mol File: | 399-95-1.mol |
4-Amino-3-fluorophenol Chemical Properties
| 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 Information
| 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 |
| 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 |
4-Amino-3-fluorophenol Preparation Products And Raw materials
| Raw materials | 1-Fluoro-2-nitrobenzene-->Aluminium hydride-->3-Fluoro-4-nitrophenol-->Sodium bicarbonate-->Ethyl acetate-->Iron-->Acetic acid |
| Preparation Products | Flufenoxuron-->Regorafenib iMpurity-->4-(4-AMINO-3-FLUOROPHENOXY)-N-METHYLPICOLINAMIDE |
