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| CAS No.: | 399-95-1 |
|---|---|
| Name: | 4-Amino-3-fluorophenol |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6FNO |
| Molecular Weight: | 127.118 |
| Synonyms: | 3-Fluoro-4-aminophenol;Phenol, 4-amino-3-fluoro-;2-Fluoro-4-hydroxyaniline;4-amino-3-fluoro-phenol; |
| EINECS: | 402-230-0 |
| Density: | 1.347 g/cm3 |
| Melting Point: | 135-137 °C |
| Boiling Point: | 263.3 °C at 760 mmHg |
| Flash Point: | 113.1 °C |
| Appearance: | Brown crystal |
| Hazard Symbols: |
 T;  Xi;  N
|
| Risk Codes: | 22-43-45-51/53 |
| Safety: | 45-53-61 |
| Transport Information: | UN 3077 |
| PSA: | 46.25000 |
| LogP: | 1.69470 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
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| Conditions | Yield |
|---|---|
| With hydrogen; palladium 10% on activated carbon In tetrahydrofuran; ethanol at 20℃; for 4.5h; | 100% |
| With iron; acetic acid In ethyl acetate for 3h; Heating / reflux; | 98% |
| With hydrogen; palladium 10% on activated carbon In ethyl acetate for 4h; | 97% |
- 103842-00-8
N-(2-fluoro-4-hydroxyphenyl)acetamide
- 399-95-1
4-amino-3-fluorophenol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 80℃; Inert atmosphere; | 88% |
- 7784-21-6
aluminium hydride
- 144-55-8
sodium hydrogencarbonate
- 1493-27-2
ortho-nitrofluorobenzene
- 399-95-1
4-amino-3-fluorophenol
| Conditions | Yield |
|---|---|
| With sulfuric acid In water | 86% |
| With sulfuric acid In water | 86% |
| Conditions | Yield |
|---|---|
| With oxalic acid; aluminium In water at 80 - 85℃; for 1.5h; | 40.7% |
| With sulfuric acid at 90℃; (electrochemical reduction); |
| Conditions | Yield |
|---|---|
| With sodium dithionite; water |
- 127682-43-3
O-(3-fluorophenyl)hydroxylamine
A
- 372-20-3
3-fluorophenol
B
- 399-95-1
4-amino-3-fluorophenol
C
- 53981-24-1
2-amino-5-fluorophenol
D
- 53981-23-0
2-amino-3-fluorophenol
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid at 70℃; for 6h; Product distribution; Rate constant; Kinetics; ΔH(excit.), ΔG(excit.), ΔS(excit.); |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: sodium dithionite; water View Scheme | |
| Multi-step reaction with 2 steps 1: nitric acid / water / 0.5 h / 8 - 10 °C / Cooling with ice 2: sodium sulfide / 0.08 h / Microwave irradiation; Ionic liquid View Scheme |
| Conditions | Yield |
|---|---|
| In water; acetic acid |
- 18266-53-0
2-fluoro-4-hydroxyaniline hydrochloride
- 399-95-1
4-amino-3-fluorophenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water |
- 399-95-1
4-amino-3-fluorophenol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: copper(II) sulfate; sulfuric acid; water / 100 °C 2: nitric acid / water / 0.5 h / 8 - 10 °C / Cooling with ice 3: sodium sulfide / 0.08 h / Microwave irradiation; Ionic liquid View Scheme |
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Specification
The IUPAC name of this chemical is 4-Amino-3-fluorophenol. With the CAS registry number 399-95-1 and EINECS registry number 402-230-0, it is also named as 3-Fluoro-4-aminophenol. In addition, the molecular formula is C6H6FNO and the molecular weight is 127.12. It belongs to the classes of Aromatic Phenols and Phenol & Thiophenol & Mercaptan.
Physical properties about this chemical are: (1)ACD/LogP: 0.45; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.25; (5)ACD/BCF (pH 7.4): 1.27; (6)ACD/KOC (pH 5.5): 40.63; (7)ACD/KOC (pH 7.4): 41.03; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 32.36 cm3; (14)Molar Volume: 94.3 cm3; (15)Polarizability: 12.83 ×10-24cm3; (16)Surface Tension: 53.5 dyne/cm; (17)Flash Point: 117.3 °C; (18)Enthalpy of Vaporization: 52.9 kJ/mol; (19)Boiling Point: 270.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00414 mmHg at 25°C.
Preparation of 4-Amino-3-fluorophenol: it can be prepared by o-fluorinenitrobenzene in the presence of sulfur compounds, and the reaction is a kind of reduction reaction. The reaction time is 6 hours at room temperature.
Uses of 4-Amino-3-fluorophenol: it can be used to produce 2-fluoro-4-(1,1,2-trifluoro-2-trifluoromethoxy-ethoxy)-phenylamine with trifluoro(trifluoromethoxy)ethylene. This reaction will need reagent KOH and solvents toluene and dimethylsulfoxide. The reaction time is 3 hours at temperature of 0 °C. The yield is about 85%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is harmful if swallowed. It may cause sensitization by skin contact. This chemical may cause cancer. When you are using it, please avoid exposure - obtain special instructions before use and avoid release to the environment. Refer to special instructions / safety data sheets. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(N)ccc(O)c1
(2)InChI: InChI=1/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
(3)InChIKey: MNPLTKHJEAFOCA-UHFFFAOYAA
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