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Cas Database |
| Name |
2,3,6-Trifluorophenol |
EINECS | N/A | ||||||||||||||||
| CAS No. | 113798-74-6 | Density | 1.473g/cm3 | ||||||||||||||||
| PSA | 20.23000 | LogP | 1.80950 | ||||||||||||||||
| Solubility | Soluble in water (47.267 mg/L est.) | Melting Point |
33-37 °C(lit.) |
||||||||||||||||
| Formula | C6H3 F3 O | Boiling Point | 137°Cat760mmHg | ||||||||||||||||
| Molecular Weight | 148.084 | Flash Point | 59°C | ||||||||||||||||
| Transport Information | UN 1325 | Appearance | clear light yellow liquid after melting | ||||||||||||||||
| Safety |
|
Risk Codes | R20/21/22;R36/37/38 | ||||||||||||||||
| Molecular Structure |
|
Hazard Symbols |
|
||||||||||||||||
| Synonyms |
2,3,6-Trifluorophenol |
Article Data | 2 |
2,3,6-Trifluorophenol Synthetic route
- 551-62-2
1,2,3,4-tetrafluorobenzene
- 113798-74-6
2,3,6-trifluorophenol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In dimethyl sulfoxide for 4h; Heating; |
- 156839-10-0
2,3,5-trifluoro-4-hydroxybenzoic acid
- 113798-74-6
2,3,6-trifluorophenol
| Conditions | Yield |
|---|---|
| With sulfuric acid In 1-methyl-pyrrolidin-2-one; water |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; | 100% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N-methyl-acetamide; water | 94.2% |
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 12h; | 93% |
- 113798-74-6
2,3,6-trifluorophenol
- 822-39-9
2-chloro-1,3,2-dioxaphospholan
| Conditions | Yield |
|---|---|
| Stage #1: 2,3,6-trifluorophenol In dichloromethane at 20℃; for 0.5h; Stage #2: 2-chloro-1,3,2-dioxaphospholan In dichloromethane at 0 - 20℃; for 12h; | 92% |
- 113798-74-6
2,3,6-trifluorophenol
- 192446-70-1
4-bromo-2,3,6-trifluorophenol
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In chloroform at 0℃; for 2h; | 87% |
- 113798-74-6
2,3,6-trifluorophenol
- 107-30-2
chloromethyl methyl ether
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; | 87% |
- 642487-34-1
4-[4-(3-hydroxypropyl)phenyl]-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
- 113798-74-6
2,3,6-trifluorophenol
- 642487-39-6
4-{4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl}-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
| Conditions | Yield |
|---|---|
| With tributylphosphine; N-ethyl-N,N-diisopropylamine; 1,1'-azodicarbonyl-dipiperidine In toluene at 20 - 60℃; for 3h; | 83% |
- 113798-74-6
2,3,6-trifluorophenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide; chlorine In dichloromethane; water | 82.5% |
2,3,6-Trifluorophenol Chemical Properties
Molecular Structure of 2,3,6-Trifluorophenol (CAS NO.113798-74-6):
Molecular Formula: C6H3F3O
Molecular Weight: 148.0826
IUPAC Name: 2,3,6-Trifluorophenol
Synonyms of 2,3,6-Trifluorophenol (CAS NO.113798-74-6): Phenol, 2,3,6-trifluoro- (9CI) ; 2,3,6-Trifluorophenol 98%
CAS NO: 113798-74-6
Classification Code: HALIDE ; Phenol&Thiophenol&Mercaptan ; Miscellaneous ; Organic Building Blocks ; Oxygen Compounds ; Phenols
Melting point: 33-37 °C
Index of Refraction: 1.471
Molar Refractivity: 28.11 cm3
Molar Volume: 100.4 cm3
Surface Tension: 34.5 dyne/cm
Density: 1.473 g/cm3
Flash Point: 59 °C
Enthalpy of Vaporization: 38.98 kJ/mol
Boiling Point: 137 °C at 760 mmHg
Vapour Pressure: 5.81 mmHg at 25°C
2,3,6-Trifluorophenol Safety Profile
Hazard Codes of 2,3,6-Trifluorophenol (CAS NO.113798-74-6): 
Xn,Xi
Risk Statements: 20/21/22-36/37/38
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: 26-36/37/39
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.
RIDADR: UN 1325 4.1/PG 2
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 4.1
PackingGroup: III
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