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Cas Database |
| Name |
2-Chloro-6-fluorophenol |
EINECS | 433-890-8 |
| CAS No. | 2040-90-6 | Density | 1.408 g/cm3 |
| PSA | 20.23000 | LogP | 2.18470 |
| Solubility | N/A | Melting Point |
62-65 °C(lit.) |
| Formula | C6H4ClFO | Boiling Point | 160.6 °C at 760 mmHg |
| Molecular Weight | 146.549 | Flash Point | 50.9 °C |
| Transport Information | N/A | Appearance | Clear very slight yellow. |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-chloro-6-fluoro-phenol; |
Article Data | 11 |
2-Chloro-6-fluorophenol Synthetic route
- 899427-23-7
2-chloro-6-fluorophenyl isopropylcarbamate
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran; ethanol at 20℃; for 2h; | 98% |
- 1228447-85-5
(2-chloro-6-fluorophenyl)(isopropoxy)dimethylsilane
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol; water at 20℃; for 16h; Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride In toluene at 0℃; for 4h; Darkness; regioselective reaction; | 91% |
| With tetrachloromethane; chlorine | |
| With chlorine In tetrachloromethane | |
| Multi-step reaction with 5 steps 1.1: TMEDA / diethyl ether; pentane / 0.5 h / 20 °C 2.1: n-butyllithium; TMEDA / diethyl ether; pentane / 1 h / -78 °C 2.2: C2Cl6 / diethyl ether; pentane / 1 h / -78 °C 3.1: 0.210 g / aq. HCl / methanol / -78 - 20 °C 4.1: 98 percent / aq. NaOH / ethanol; tetrahydrofuran / 2 h / 20 °C View Scheme | |
| With diisobutylamine; sulfuryl dichloride In toluene at 20℃; |
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2-fluoro-6-chlorophenyl)oxypyridine With methyl trifluoromethanesulfonate In toluene at 100℃; for 2h; Inert atmosphere; Stage #2: With sodium ethanolate for 1h; Reflux; Inert atmosphere; | 78% |
| Conditions | Yield |
|---|---|
| With acetic acid; Selectfluor; eosin y In water at 20℃; for 6h; Irradiation; Green chemistry; | 77% |
| Multi-step reaction with 3 steps 1.1: copper(l) iodide; 2-Picolinic acid; potassium phosphate / dimethyl sulfoxide / 24 h / 80 °C / Inert atmosphere 2.1: bis(dibenzylideneacetone)-palladium(0); N-fluorobis(benzenesulfon)imide / ethyl acetate / 5 h / 80 °C 3.1: methyl trifluoromethanesulfonate / toluene / 2 h / 100 °C / Inert atmosphere 3.2: 1 h / Reflux; Inert atmosphere View Scheme |
- 53145-38-3
1-chloro-3-fluoro-2-methoxybenzene
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| With pyridine hydrochloride | |
| With boron tribromide In dichloromethane at -78 - 20℃; for 16h; |
- 199585-08-5
2-fluorophenyl isopropylcarbamate
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: TMEDA / diethyl ether; pentane / 0.5 h / 20 °C 2.1: n-butyllithium; TMEDA / diethyl ether; pentane / 1 h / -78 °C 2.2: C2Cl6 / diethyl ether; pentane / 1 h / -78 °C 3.1: 0.210 g / aq. HCl / methanol / -78 - 20 °C 4.1: 98 percent / aq. NaOH / ethanol; tetrahydrofuran / 2 h / 20 °C View Scheme |
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: n-butyllithium; TMEDA / diethyl ether; pentane / 1 h / -78 °C 1.2: C2Cl6 / diethyl ether; pentane / 1 h / -78 °C 2.1: 0.210 g / aq. HCl / methanol / -78 - 20 °C 3.1: 98 percent / aq. NaOH / ethanol; tetrahydrofuran / 2 h / 20 °C View Scheme |
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 0.210 g / aq. HCl / methanol / -78 - 20 °C 2: 98 percent / aq. NaOH / ethanol; tetrahydrofuran / 2 h / 20 °C View Scheme |
- 145706-45-2
2,2,6-trichloro-6-fluoro-1,1-cyclohexane-diol
- 2040-90-6
2-chloro-6-fluorophenol
| Conditions | Yield |
|---|---|
| Å molecular sieve In pyridine |
2-Chloro-6-fluorophenol Chemical Properties
Molecular Formula: C6H4ClFO
Molecular Weight: 146.55 g/mol
EINECS: 433-890-8
Index of Refraction: 1.547
Density: 1.408 g/cm3
Flash Point: 50.9 °C
Melting point: 62-65 °C(lit.)
Enthalpy of Vaporization: 41.36 kJ/mol
Boiling Point: 160.6 °C at 760 mmHg
Vapour Pressure: 1.82 mmHg at 25 °C
Structure of 2-Chloro-6-fluorophenol (CAS NO.2040-90-6):
IUPAC Name: 2-Chloro-6-fluorophenol
Product Category of 2-Chloro-6-fluorophenol (CAS NO.2040-90-6): Fluorobenzene;Phenol & Thiophenol & Mercaptan;Organic Building Blocks;Oxygen Compounds
2-Chloro-6-fluorophenol Uses
2-Chloro-6-fluorophenol (CAS NO.2040-90-6) has been used as pharmaceutical intermediate.
2-Chloro-6-fluorophenol Toxicity Data With Reference
Hazard Codes: 
Xi
The Risk Statements:
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
2-Chloro-6-fluorophenol Specification
2-Chloro-6-fluorophenol , its cas register number is 2040-90-6. It also can be called Phenol, 2-chloro-6-fluoro- .
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