Products Categories
CAS No.: | 771-61-9 |
---|---|
Name: | Pentafluorophenol |
Article Data: | 79 |
Molecular Structure: | |
Formula: | C6HF5O |
Molecular Weight: | 184.065 |
Synonyms: | Phenol,pentafluoro- (6CI,7CI,8CI,9CI);2,3,4,5,6-Pentafluorophenol;Hydroxypentafluorobenzene;NSC 21627;Pentafluorohydroxybenzene;Perfluorophenol; |
EINECS: | 212-235-8 |
Density: | 1.689 g/cm3 |
Melting Point: | 34-36 °C(lit.) |
Boiling Point: | 146.3 °C at 760 mmHg |
Flash Point: | 72.2 °C |
Solubility: | soluble in water |
Appearance: | white solid |
Hazard Symbols: | Xi,T,C |
Risk Codes: | 36/37/38-34-20/21/22-63-43-23/24/25-45 |
Safety: | 26-36-45-36/37/39-36/37-24/25-23-53 |
PSA: | 20.23000 |
LogP: | 2.08770 |
(S)-2-[(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphorylamino]propionic acid isopropyl ester
A
L-alanin
B
2,3,4,5,6-pentafluorophenol
C
phenol
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 25 - 60℃; for 4h; Reagent/catalyst; Temperature; Solvent; | A 94.2% B 95.7% C 98.2% |
dimethyl pentafluorophenylboronate
2,3,4,5,6-pentafluorophenol
Conditions | Yield |
---|---|
With dihydrogen peroxide In water; toluene at 10 - 20℃; for 14.08h; | 97.4% |
Conditions | Yield |
---|---|
With water; potassium hydroxide at 160℃; under 4500.45 Torr; for 5h; Pressure; Reagent/catalyst; Temperature; | 97% |
With water; sodium hydroxide at 120 - 125℃; for 2h; Temperature; Reagent/catalyst; Autoclave; | 95% |
With N,N-didodecylamine; sodium hydroxide In water at 150℃; for 3h; Temperature; Autoclave; | 93.2% |
Conditions | Yield |
---|---|
With tetraethoxy orthosilicate; dihydrogen peroxide; cetyltrimethylammonim bromide; copper(II) nitrate In acetonitrile at 65℃; for 3h; Solvent; Reagent/catalyst; Molecular sieve; | 96% |
Stage #1: Pentafluorobenzene In 1,4-dioxane for 3h; Reflux; Stage #2: With dihydrogen peroxide; cobalt(II) acetate In 1,4-dioxane Reagent/catalyst; Reflux; | 94.9% |
With sulfolane; potassium hydroxide In water at 120℃; under 6000.6 Torr; for 8h; Autoclave; Inert atmosphere; | 87.3% |
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride; bromine / 18 h / 45 °C 2.1: magnesium / tetrahydrofuran / 5 h / 40 - 45 °C / Inert atmosphere; Large scale 2.2: 2 h / -5 °C / Inert atmosphere; Large scale 2.3: 0.5 h / Inert atmosphere; Large scale 3.1: dihydrogen peroxide / water; tetrahydrofuran / 3 h / 70 °C View Scheme |
Conditions | Yield |
---|---|
With dihydrogen peroxide at 20℃; for 14h; | 95.8% |
With dihydrogen peroxide at 20℃; for 3h; | 92.6% |
pentafluorophenylboronic acid isopropyl ester
2,3,4,5,6-pentafluorophenol
Conditions | Yield |
---|---|
With dihydrogen peroxide In water; 1,3,5-trimethyl-benzene at 10 - 20℃; for 16.8h; | 95.7% |
Conditions | Yield |
---|---|
With dihydrogen peroxide In ethanol at 40℃; for 0.0466667h; Temperature; Time; Solvent; Inert atmosphere; | 95.2% |
With dihydrogen peroxide In tetrahydrofuran; water at 70℃; for 3h; Temperature; | 94.1% |
With dihydrogen peroxide In toluene at 20 - 50℃; for 24h; Temperature; Solvent; Reagent/catalyst; | 85% |
With dihydrogen peroxide at 20℃; Flow reactor; | 85.8% |
With dihydrogen peroxide at 10 - 15℃; for 6h; Temperature; | 80% |
2-(2,4-dinitrophenylthio)ethanol
pentafluorophenyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
A
2,3,4,5,6-pentafluorophenol
B
2-(2,4-dinitrophenylthio)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
Conditions | Yield |
---|---|
With cesium fluoride In tetrahydrofuran for 24h; | A n/a B 90% |
Conditions | Yield |
---|---|
With copper(I) oxide; sodium carbonate; sodium hydroxide In water at 20 - 140℃; for 5h; Autoclave; | 89% |
With sulfolane; palladium on activated charcoal; potassium hydroxide In water at 150℃; under 7500.75 Torr; for 10h; Reagent/catalyst; Temperature; Pressure; Autoclave; Inert atmosphere; | 84.7% |
With potassium hydroxide In ammonia at -33℃; for 2h; | 8.2 mmol |
methanol
2,4,5,6-tetrafluoro-3-(pentafluorophenoxy)-6-phenyl-2,4-cyclohexadienone
A
2,3,4,5,6-pentafluorophenol
Conditions | Yield |
---|---|
at 60℃; for 4h; | A n/a B 86% |
1. | scu-rat LD50:322 mg/kg | IZSBAI Izvestiya Sibirskogo Otdeleniya Akademii Nauk S.S.S.R., Seriya Biologomeditsinskikh Nauk. 3 (1965),91. | ||
2. | scu-mus LD50:283 mg/kg | IZSBAI Izvestiya Sibirskogo Otdeleniya Akademii Nauk S.S.S.R., Seriya Biologomeditsinskikh Nauk. 3 (1965),91. | ||
3. | orl-mam LD50:330 mg/kg | GISAAA Gigiena i Sanitariya. 45 (10)(1980),16. | ||
4. | skn-mam LD50:1120 mg/kg | GISAAA Gigiena i Sanitariya. 45 (10)(1980),16. |