4-AMINO-2-FLUOROPHENOL CAS 399-96-2
Introduction：Basic information about 4-AMINO-2-FLUOROPHENOL CAS 399-96-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-AMINO-2-FLUOROPHENOL Basic information
| Product Name: | 4-AMINO-2-FLUOROPHENOL |
| Synonyms: | 4-AMINO-2-FLUOROPHENOL;2-Fluoro-4-Aminophenol;4-Amino-2-fluorophenol 98%;4-Amino-2-fluorophenol98%;3-Fluoro-4-hydroxyaniline;4-Amino-2-fluorophenol >4-Amino-2-fL;Phenol, 4-amino-2-fluoro- |
| CAS: | 399-96-2 |
| MF: | C6H6FNO |
| MW: | 127.12 |
| EINECS: | 642-473-1 |
| Product Categories: | Fluorine series;Aromatic Phenols;Phenol&Thiophenol&Mercaptan;bc0001 |
| Mol File: | 399-96-2.mol |
4-AMINO-2-FLUOROPHENOL Chemical Properties
| Melting point | 170-172°C |
| Boiling point | 263.3±25.0 °C(Predicted) |
| density | 1.347±0.06 g/cm3(Predicted) |
| storage temp. | Amber Vial, Refrigerator, Under Inert Atmosphere |
| solubility | DMSO, Methanol |
| form | Solid |
| pka | 8.97±0.18(Predicted) |
| color | Brown |
| InChI | InChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2 |
| InChIKey | MXJQJURZHQZLNN-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(N)C=C1F |
| CAS DataBase Reference | 399-96-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36/37/39 |
| HazardClass | IRRITANT |
| HS Code | 2922290090 |
| Uses | 4-Amino-2-fluorophenol is an reagent used in various synthetic preparations such as the synthesis of Amodiaquine (A634200), an antimalarial agent. |
| Synthesis | 403-19-0 399-96-2 Step 1) Reduction reaction: 2-fluoro-4-nitrophenol (5.0 g, 31.8 mmol) was dissolved in methanol (200 mL) and palladium/carbon catalyst (1.0 g, 10%) was added. The reaction mixture was stirred overnight at room temperature in a hydrogen atmosphere. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad and washed with methanol (5 mL). The filtrate was concentrated under reduced pressure to give 4-amino-2-fluorophenol as a brown solid (4.02 g, yield >99%). Mass spectrum (ESI, cation mode) m/z: 128.1 [M+H]+. |
| References | [1] Patent: US2005/245530, 2005, A1. Location in patent: Page/Page column 35-36 [2] Patent: US2006/241104, 2006, A1. Location in patent: Page/Page column 14 [3] Patent: US2007/78140, 2007, A1. Location in patent: Page/Page column 25-26 [4] Patent: WO2014/22116, 2014, A2. Location in patent: Paragraph 0223 [5] Patent: US2015/37280, 2015, A1. Location in patent: Paragraph 0445; 0446 |
4-AMINO-2-FLUOROPHENOL Preparation Products And Raw materials
| Raw materials | 2-Fluoro-4-nitrophenol-->Palladium-->Methanol-->Hydrogen-->Activated carbon |
| Preparation Products | 3-FLUORO-2-METHOXYBENZALDEHYDE |
