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| CAS No.: | 1526-17-6 |
|---|---|
| Name: | 2-Fluoro-6-nitrophenol |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4FNO3 |
| Molecular Weight: | 157.101 |
| Synonyms: | 6-Fluoro-2-nitrophenol;NSC 10282; |
| EINECS: | 216-199-4 |
| Density: | 1.511 g/cm3 |
| Melting Point: | 92-94 ºC |
| Boiling Point: | 201.5 ºC at 760 mmHg |
| Flash Point: | 75.6 ºC |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 66.05000 |
| LogP: | 1.96270 |
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| Conditions | Yield |
|---|---|
| With trichloroisocyanuric acid; bismuth subnitrate/charcoal In dichloromethane at 20℃; for 1h; regioselective reaction; | 85% |
| With nitric acid In dichloromethane at 0℃; for 1h; | |
| With nitric acid In dichloromethane at 0 - 5℃; for 1h; | |
| With nitric acid In dichloromethane at 0℃; for 1h; |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; potassium tert-butylate; ammonia In tetrahydrofuran for 0.25h; | A 7% B 76% |
| Conditions | Yield |
|---|---|
| With Nitrogen dioxide In pentane 35 min, 0 deg C then 20 min, room temperature; | A 47% B 49% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite at 0℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite at 0℃; |
- 367-12-4
2-fluorophenol
A
- 1526-17-6
2-fluoro-6-nitrophenol
B
- 403-19-0
2-fluoro-4-nitrophenol
C
- 123871-61-4
6-fluoro-6-nitrocyclohexa-2,4-dienone
| Conditions | Yield |
|---|---|
| With nitric acid In acetic anhydride at -60℃; Title compound not separated from byproducts; | |
| With nitric acid In acetic anhydride Title compound not separated from byproducts; |
- 1526-17-6
2-fluoro-6-nitrophenol
| Conditions | Yield |
|---|---|
| With steam at 170 - 190℃; |
- 367-12-4
2-fluorophenol
- 7440-44-0
pyrographite
A
- 1526-17-6
2-fluoro-6-nitrophenol
B
- 403-19-0
2-fluoro-4-nitrophenol
| Conditions | Yield |
|---|---|
| With nitric acid In hexane; dichloromethane | A 13.5 g (30 %) B n/a |
| With nitric acid In hexane; dichloromethane | A 13.5 g (30 %) B n/a |
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluoro-6-nitrophenol With potassium hydroxide In ethanol for 1h; Stage #2: ethyl bromoacetate In N,N-dimethyl-formamide for 24h; Further stages.; | 99% |
| With potassium carbonate In acetonitrile at 90℃; for 2h; | 74.7% |
- 358-23-6
trifluoromethylsulfonic anhydride
- 1526-17-6
2-fluoro-6-nitrophenol
- 122455-35-0
2-fluoro-6-nitrophenyl trifluoromethanesulfonate
| Conditions | Yield |
|---|---|
| With potassium carbonate | 98% |
| With potassium carbonate In acetone at 20℃; for 4h; | 40% |
| Stage #1: 2-fluoro-6-nitrophenol With potassium carbonate In acetone at 20℃; for 0.333333h; Stage #2: trifluoromethylsulfonic anhydride In acetone at 20℃; for 4h; | 40% |
| With pyridine In dichloromethane at 0℃; for 2h; |
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Specification
The 2-Fluoro-6-nitrophenol, with the CAS registry number 1526-17-6, is also known as Phenol, 2-fluoro-6-nitro-. It belongs to the product category of Fluorobenzene. Its EINECS registry number is 216-199-4. This chemical's molecular formula is C6H4FNO3 and molecular weight is 157.10. What's more, its IUPAC name is the same with its product name. It should be kept in a cold and dry place.
Physical properties about 2-Fluoro-6-nitrophenol are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 8.77; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 142.25; (8)ACD/KOC (pH 7.4): 4.53; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 34.67 cm3; (15)Molar Volume: 103.9 cm3; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.511 g/cm3; (18)Flash Point: 75.6 °C; (19)Enthalpy of Vaporization: 45.56 kJ/mol; (20)Boiling Point: 201.5 °C at 760 mmHg; (21)Vapour Pressure: 0.217 mmHg at 25 °C.
Preparation of 2-Fluoro-6-nitrophenol: this chemical can be prepared by 1-Fluoro-3-nitro-benzene. This reaction needs reagents t-BuOK, t-BuOOH, NH3 and solvent tetrahydrofuran. The reaction time is 15 min. The yield is 76 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc([N+]([O-])=O)c1O
(2) InChI: InChI=1S/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
(3) InChIKey: HIGRXCJEFUYRNW-UHFFFAOYSA-N