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766-11-0

Basic Information
CAS No.: 766-11-0
Name: 2-Fluoro-5-bromopyridine
Article Data: 9
Molecular Structure:
Molecular Structure of 766-11-0 (2-Fluoro-5-bromopyridine)
Formula: C5H3BrFN
Molecular Weight: 175.988
Synonyms: 5-Bromo-2-Fluoro Pyridine;5-Bromo-2-fluoropyridine;5-bromo-2-fluoro-pyridine;3-Bromo-6-fluoropyridine;Pyridine, 5-bromo-2-fluoro-;
EINECS: 629-380-1
Density: 1.707 g/cm3
Boiling Point: 178 °C at 760 mmHg
Flash Point: 61.4 °C
Appearance: clear colorless yellowish liquid
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26-36/37/39
PSA: 12.89000
LogP: 1.98320
Synthetic route
39856-50-3

5-bromo2-nitropyridine

766-11-0

5-bromo-2-fluoropyridine

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; water; N,N-dimethyl-formamide at 23℃; for 4h;
With p-methoxybenzoyl fluoride; 2,3-Dihydro-1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene In N,N-dimethyl-formamide at 25℃; for 16h; Inert atmosphere;91 %Spectr.
403-45-2

6-fluoronicotinic acid

766-11-0

5-bromo-2-fluoropyridine

Conditions
ConditionsYield
With bromine; mercury(II) oxide In tetrachloromethane; hexane1.73 g (63%)
53939-30-3

5-bromo-2-chloropyridine

766-11-0

5-bromo-2-fluoropyridine

Conditions
ConditionsYield
With p-methoxybenzoyl fluoride; 2,3-Dihydro-1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene In N,N-dimethyl-formamide at 25℃; for 16h; Inert atmosphere;80 %Spectr.
With tetramethylammonium fluoride In N,N-dimethyl-formamide at 25℃; for 24h; Sealed tube;100 %Spectr.
453-20-3

3-Hydroxytetrahydrofuran

766-11-0

5-bromo-2-fluoropyridine

494771-98-1

rac-5-bromo-2-(tetrahydro-furan-3-yloxy)-pyridine

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 90℃; for 72h;100%
With caesium carbonate In N,N-dimethyl-formamide at 90℃; for 70h; Sealed tube; Inert atmosphere;93%
766-11-0

5-bromo-2-fluoropyridine

139301-27-2

4-trifluoromethoxyphenylboronic acid

1261592-34-0

2-fluoro-5-[4-(trifluoromethoxy)phenyl]pyridine

Conditions
ConditionsYield
With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In ethanol; water; toluene at 85 - 88℃; for 3h; Inert atmosphere;100%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; water; sodium carbonate In ethanol; toluene at 85 - 88℃; for 3h; Suzuki Coupling; Inert atmosphere;100%
766-11-0

5-bromo-2-fluoropyridine

1431434-20-6

C20H24BrNO6

1431434-25-1

C23H22BrFN2O5

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran at -78℃;100%
With n-butyllithium In tetrahydrofuran at -78℃;
766-11-0

5-bromo-2-fluoropyridine

1805-32-9

3,4-dichlorobenzyl alcohol

5-bromo-2-(3,4-dichlorobenzyloxy)pyridine

Conditions
ConditionsYield
Stage #1: 3,4-dichlorobenzyl alcohol With sodium hydride In tetrahydrofuran at 0 - 20℃; for 1.5h; Reflux;
Stage #2: 5-bromo-2-fluoropyridine In tetrahydrofuran for 12h; Reflux;
100%
766-11-0

5-bromo-2-fluoropyridine

3840-31-1

(3,4,5-trimethoxyphenyl)methanol

5-bromo-2-(3,4,5-trimethoxybenzyloxy)pyridine

Conditions
ConditionsYield
Stage #1: (3,4,5-trimethoxyphenyl)methanol With sodium hydride In tetrahydrofuran at 0 - 20℃; for 1.5h; Reflux;
Stage #2: 5-bromo-2-fluoropyridine In tetrahydrofuran for 12h; Reflux;
100%
766-11-0

5-bromo-2-fluoropyridine

100-53-8

phenylmethanethiol

874959-69-0

2-(benzylsulfanyl)-5-bromopyridine

Conditions
ConditionsYield
Stage #1: phenylmethanethiol With sodium hydride In tetrahydrofuran at 0 - 20℃; for 1.5h; Reflux;
Stage #2: 5-bromo-2-fluoropyridine In tetrahydrofuran for 12h; Reflux;
100%
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 2h;
766-11-0

5-bromo-2-fluoropyridine

536-60-7

cuminol

C15H16BrNO

Conditions
ConditionsYield
Stage #1: cuminol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h;
Stage #2: 5-bromo-2-fluoropyridine In N,N-dimethyl-formamide; mineral oil at 20℃; for 72h;
100%
Stage #1: cuminol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h;
Stage #2: 5-bromo-2-fluoropyridine In N,N-dimethyl-formamide; mineral oil at 20℃; for 72h;
100%
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    2-Fluoro-5-bromopyridine Chemical Properties Boiling point 162-164 °C750 mm Hg(lit.) density 1.71 g/mL at 25 °C(lit.) refractive index n20/D 1.5325(lit.) Fp 165 °F pka -2.79±0.10(Predicted) form Liquid color

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Specification

The 2-Fluoro-5-bromopyridine, with the CAS registry number 766-11-0, has the systematic name of 5-bromo-2-fluoropyridine. It is a kind of clear colorless yellowish liquid, and belongs to the following product categories: Fluorin-contained pyridine series; blocks; Bromides; Pyridines; Pharmacetical; Pyridines derivates; Halogenated; Organohalides; Bromopyridines; Fluoropyridines; Halopyridines; Boronic Acid; Heterocyclic Building Blocks; Halogenated Heterocycles; Variety of halogenated heterocyclic series. The molecular formula of this chemical is C5H3BrFN.

The physical properties of 2-Fluoro-5-bromopyridine are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.68; (6)ACD/BCF (pH 7.4): 13.68; (7)ACD/KOC (pH 5.5): 226.35; (8)ACD/KOC (pH 7.4): 226.35; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 32.02 cm3; (15)Molar Volume: 103 cm3; (16)Polarizability: 12.69×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.707 g/cm3; (19)Flash Point: 61.4 °C; (20)Enthalpy of Vaporization: 39.73 kJ/mol; (21)Boiling Point: 178 °C at 760 mmHg; (22)Vapour Pressure: 1.37 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(F)cc1
(2)InChI: InChI=1/C5H3BrFN/c6-4-1-2-5(7)8-3-4/h1-3H
(3)InChIKey: MYUQKYGWKHTRPG-UHFFFAOYAV