| Identification | More | [Name]
4-AMINO-2-FLUOROPHENOL | [CAS]
399-96-2 | [Synonyms]
4-AMINO-2-FLUOROPHENOL
2-Fluoro-4-Aminophenol
4-Amino-2-fluorophenol 98%
4-Amino-2-fluorophenol98%
3-Fluoro-4-hydroxyaniline | [EINECS(EC#)]
642-473-1 | [Molecular Formula]
C6H6FNO | [MDL Number]
MFCD00671760 | [Molecular Weight]
127.12 | [MOL File]
399-96-2.mol |
| Chemical Properties | Back Directory | [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 Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2922290090 |
| Hazard Information | Back Directory | [Uses]
4-Amino-2-fluorophenol is an reagent used in various synthetic preparations such as the synthesis of Amodiaquine (A634200), an antimalarial agent. | [Synthesis]
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 |
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