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| CAS No.: | 156682-53-0 |
|---|---|
| Name: | 3-Bromo-2-fluoro-phenol |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4BrFO |
| Molecular Weight: | 191 |
| Synonyms: | 3-Bromo-2-fluorophenol; |
| Density: | 1.764 g/cm3 |
| Boiling Point: | 207.4 °C at 760 mmHg |
| Flash Point: | 79.2 °C |
| Hazard Symbols: |
 T,  Xi
|
| Risk Codes: | T,Xi:; ">  T,Xi:; |
| PSA: | 20.23000 |
| LogP: | 2.29380 |
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- 38573-88-5
1-bromo-2,3-difluorobenzene
A
- 156682-53-0
3-bromo-2-fluoro-phenol
B
- 2040-89-3
2-bromo-6-fluorophenol
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-2,3-difluorobenzene With potassium trimethylsilonate In diethylene glycol dimethyl ether at 120℃; for 5h; Inert atmosphere; Stage #2: With hydrogenchloride In diethylene glycol dimethyl ether; water at 20℃; Inert atmosphere; |
- 156682-53-0
3-bromo-2-fluoro-phenol
- 100-39-0
benzyl bromide
- 295376-29-3
1-(benzyloxy)-3-bromo-2-fluorobenzene
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 4h; Reflux; | 97% |
- 156682-53-0
3-bromo-2-fluoro-phenol
- 286371-65-1
6-(benzyloxy)-4-chloro-7-methoxyquinazoline
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 1h; | 96% |
- 156682-53-0
3-bromo-2-fluoro-phenol
- 75-26-3
isopropyl bromide
- 1160293-59-3
1-bromo-2-fluoro-3-isopropoxybenzene
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 60℃; for 14h; Inert atmosphere; | 92% |
- 156682-53-0
3-bromo-2-fluoro-phenol
- 100-49-2
cyclohexylmethyl alcohol
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 16h; | 83% |
- 156682-53-0
3-bromo-2-fluoro-phenol
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 1h; | 82% |
- 156682-53-0
3-bromo-2-fluoro-phenol
| Conditions | Yield |
|---|---|
| With caesium carbonate In dimethyl sulfoxide at 110℃; for 1h; | 76.8% |
- 156682-53-0
3-bromo-2-fluoro-phenol
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromo-2-fluoro-phenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: diphenyliodonium tetrafluoroborate In tetrahydrofuran at 40℃; for 1h; | 76% |
| Stage #1: 3-bromo-2-fluoro-phenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: diphenyliodonium tetrafluoroborate In tetrahydrofuran at 40℃; for 1h; | 76% |
- 156682-53-0
3-bromo-2-fluoro-phenol
- 1426251-76-4
bis(3-fluorophenyl)iodonium tetrafluoroborate
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromo-2-fluoro-phenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: bis(3-fluorophenyl)iodonium tetrafluoroborate In tetrahydrofuran at 40℃; for 1h; | 71% |
| Stage #1: 3-bromo-2-fluoro-phenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: bis(3-fluorophenyl)iodonium tetrafluoroborate In tetrahydrofuran at 40℃; for 1h; | 71% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile for 18h; Inert atmosphere; Reflux; | 70% |
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Specification
The Phenol,3-bromo-2-fluoro- is an organic compound with the formula C6H4BrFO. The systematic name of this chemical is 3-Bromo-2-fluorophenol. With the CAS registry number 156682-53-0, it is also named as 3-Bromo-2-fluoro-phenol. Besides, its molecular weight is 190.998.
Physical properties about Phenol,3-bromo-2-fluoro- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.77; (3)ACD/LogD (pH 7.4): 2.61; (4)ACD/BCF (pH 5.5): 74.74; (5)ACD/BCF (pH 7.4): 51.76; (6)ACD/KOC (pH 5.5): 762.04; (7)ACD/KOC (pH 7.4): 527.73; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 35.81 cm3; (14)Molar Volume: 108.2 cm3; (15)Polarizability: 14.19 10-24 cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.764 g/cm3; (18)Flash Point: 79.2 °C; (19)Enthalpy of Vaporization: 46.17 kJ/mol; (20)Boiling Point: 207.4 °C at 760 mmHg; (21)Vapour Pressure: 0.157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H4BrFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
(2)InChIKey: MEZFCUMYQXLFOV-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C6H4BrFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
(4)Std. InChIKey: MEZFCUMYQXLFOV-UHFFFAOYSA-N