3-Amino-4-fluorophenol CAS 62257-16-3
Introduction：Basic information about 3-Amino-4-fluorophenol CAS 62257-16-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Amino-4-fluorophenol Basic information
| Product Name: | 3-Amino-4-fluorophenol |
| Synonyms: | 3-Amino-4-fluorophenol;3-Amino-4-fluorophenol 99%;Phenol,3-aMino-4-fluoro-;2-Fluoro-5-hydroxyaniline;6004 3-AMINO-4-FLUORO PHENOL;3-Amino-4-fluorophenol ISO 9001：2015 REACH |
| CAS: | 62257-16-3 |
| MF: | C6H6FNO |
| MW: | 127.12 |
| EINECS: | 690-814-8 |
| Product Categories: | Phenol&Thiophenol&Mercaptan |
| Mol File: | 62257-16-3.mol |
3-Amino-4-fluorophenol Chemical Properties
| Melting point | 141-143 °C |
| Boiling point | 269.3±20.0 °C(Predicted) |
| density | 1.347±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | crystalline powder |
| pka | 10.03±0.18(Predicted) |
| color | Light tan |
| InChI | InChI=1S/C6H6FNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2 |
| InChIKey | VJCSFNNTQGRAKH-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(F)C(N)=C1 |
| CAS DataBase Reference | 62257-16-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Hazard Note | Toxic |
| HS Code | 2922290090 |
| Description | 3-amino-4-fluorophenol is a kind of organic chemistry intermediate commonly used as the intermediate for synthesizing compounds of liquid crystals, pharmaceutical compounds and agricultural chemical compounds used always. |
| Uses | 3-Amino-4-fluorophenol is used to produce drugs with specific biological activities, including antibiotics and anti-inflammatory agents. |
| Synthesis | Add 450ml water in the 5L reaction flask, 708.5g (10.9mol) zinc powder, 303g (1.09mol) 2-bromo-4-fluoro-5-amino-benzene oxygen ethyl formate, mix, 45 ℃ drip the solution that 218g (5.45mol) sodium hydroxide and 1500ml water are made into down, insulated and stirred is warming up to 60 ℃ after 1 hour to be incubated 4 hours after reactions more complete, the cooling suction filtration, getting filtrate dropping 406g (3.33mol) 30% hydrochloric acid separates product, filtration obtains brown solid, use ethyl alcohol recrystallization, get yellow solid 118.5g (0.93mol) 3-amino-4-fluorophenol after the drying. A molar yield of 85% is 99.5% through gas chromatography determination purity.136 ℃/20mmHg of boiling point. |
| References | [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 122 - 134 [2] Patent: US2008/90856, 2008, A1. Location in patent: Page/Page column 38 [3] Patent: WO2010/51373, 2010, A1. Location in patent: Page/Page column 75-76 [4] Patent: WO2013/36232, 2013, A2. Location in patent: Paragraph 00253 [5] Patent: US2009/137595, 2009, A1 |
3-Amino-4-fluorophenol Preparation Products And Raw materials
| Raw materials | Acetamide, 2,2,2-trifluoro-N-(2-fluoro-5-hydroxyphenyl)--->2-Chloro-4-fluorophenol-->2-chloro-4-fluoro-methoxycarbonyloxybenzene-->5-Amino-2-chloro-4-fluorophenol-->2-Chloro-4-fluoro-5-nitrophenol-->Hydrogen-->2-chloro-4-fluoro-5-nitrophenyl methyl carbonate-->4-Fluoro-3-nitrophenol-->N-(5-amino-2-fluorophenyl)acetamide(SALTDATA: 0.95HCl 0.8H2O)-->3-AMINO-2-CYCLOHEXEN-1-ONE |
| Preparation Products | TAK-632-->Carbamic acid, N-(2-fluoro-5-hydroxyphenyl)-, 1,1-dimethylethyl ester |
