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3-Bromo-2,6-dichloropyridine

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Name

3-Bromo-2,6-dichloropyridine

EINECS N/A
CAS No. 866755-20-6 Density 1.848 g/cm3
PSA 12.89000 LogP 3.15090
Solubility N/A Melting Point 68-71 °C
Formula C5H2BrCl2N Boiling Point 254.972 °C at 760 mmHg
Molecular Weight 226.888 Flash Point 108.003 °C
Transport Information UN 2811 Appearance N/A
Safety 26-39-45 Risk Codes 25-37/38-41
Molecular Structure Molecular Structure of 866755-20-6 (3-Bromo-2,6-dichloropyridine) Hazard Symbols IrritantXi
Synonyms

3-bromo-2,6-dichloropyridine

 

3-Bromo-2,6-dichloropyridine Synthetic route

866755-20-6

3-bromo-2, 6-dichloropyridine

124-41-4

sodium methylate

3 -bromo-6-chloro-2-methoxypyridine

Conditions
ConditionsYield
With methanol In acetonitrile93%
866755-20-6

3-bromo-2, 6-dichloropyridine

2516-33-8

Cyclopropylmethanol

C9H9BrClNO

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 80℃;80%
866755-20-6

3-bromo-2, 6-dichloropyridine

2042-14-0

4-methyl-5-nitrophenol

3-bromo-6-chloro-2-(4-methyl-3-nitrophenoxy)pyridine

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide for 8h; Heating; regioselective reaction;70%
With caesium carbonate In N,N-dimethyl-formamide for 8h; Heating;70%
866755-20-6

3-bromo-2, 6-dichloropyridine

80392-79-6

3-bromo-2,6-difluoropyridine

Conditions
ConditionsYield
With cesium fluoride In dimethyl sulfoxide at 80℃; for 8h;64%
866755-20-6

3-bromo-2, 6-dichloropyridine

141699-55-0

tert-butyl 3-hydroxyazetidine-1-carboxylate

tert-butyl 3-((3-bromo-6-chloropyridin-2-yl)oxy)azetidine-1-carboxylate

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 20℃; for 16h;58.23%
866755-20-6

3-bromo-2, 6-dichloropyridine

389890-43-1

tert-butyl (1,3-cis)-N-(3-hydroxycyclobutyl)carbamate

1349184-97-9

tert-butyl ((1S,3S)-3-((3-bromo-6-chloropyridin-2-yl)oxy)cyclobutyl)carbamate

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 20℃;56%
866755-20-6

3-bromo-2, 6-dichloropyridine

62-53-3

aniline

A

3-bromo-6-chloro-N-phenylpyridin-2-amine

B

5-bromo-6-chloro-N-phenylpyridin-2-amine

Conditions
ConditionsYield
With 1,1'-bis[bis(dimethylamino)phosphino]ferrocene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In 1,4-dioxane at 70℃; for 15h; Sealed tube; Inert atmosphere;A 50%
B 27%
866755-20-6

3-bromo-2, 6-dichloropyridine

3-bromo-6-chloro-2-hydrazinylpyridine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 80℃; for 18h;44%
109-01-3

1-methyl-piperazine

866755-20-6

3-bromo-2, 6-dichloropyridine

A

1418153-18-0

1-(3-bromo-6-chloropyridin-2-yl)-4-methylpiperazine

B

1418153-33-9

1-(5-bromo-6-chloropyridin-2-yl)-4-methylpiperazine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 140℃; for 1h; Inert atmosphere;A 30%
B 8%
866755-20-6

3-bromo-2, 6-dichloropyridine

C15H12

C20H13Cl2N

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 60℃; for 5h; Inert atmosphere;10%

3-Bromo-2,6-dichloropyridine Specification

The IUPAC name of 3-Bromo-2,6-dichloropyridine is 3-bromo-2,6-dichloropyridine. With the CAS registry number 866755-20-6, it is also named as Pyridine,3-bromo-2,6-dichloro-. The product's category is Heterocyclic Compounds. Besides, it is cream-coloured powder, which should be stored in a sealed, cool, dry place. In addition, its molecular formula is C5H2BrCl2N and molecular weight is 226.89.

The other characteristics of 3-Bromo-2,6-dichloropyridine can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 122.503; (6)ACD/BCF (pH 7.4): 122.503; (7)ACD/KOC (pH 5.5): 1087.188; (8)ACD/KOC (pH 7.4): 1087.188; (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: 1.597; (14)Molar Refractivity: 41.824 cm3; (15)Molar Volume: 122.743 cm3; (16)Polarizability: 16.58×10-24cm3; (17)Surface Tension: 48.344 dyne/cm; (18)Density: 1.848 g/cm3; (19)Flash Point: 108.003 °C; (20)Melting Point: 68-71 °C; (21)Enthalpy of Vaporization: 47.252 kJ/mol; (22)Boiling Point: 254.972 °C at 760 mmHg; (23)Vapour Pressure: 0.027 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(nc(c1Br)Cl)Cl
(2)InChI: InChI=1/C5H2BrCl2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
(3)InChIKey: PZHASTRIYXMWKM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H2BrCl2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
(5)Std. InChIKey: PZHASTRIYXMWKM-UHFFFAOYSA-N

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