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| CAS No.: | 866755-20-6 |
|---|---|
| Name: | 3-Bromo-2,6-dichloropyridine |
| Molecular Structure: | |
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|
|
| Formula: | C5H2BrCl2N |
| Molecular Weight: | 226.888 |
| Synonyms: | 3-bromo-2,6-dichloropyridine |
| Density: | 1.848 g/cm3 |
| Melting Point: | 68-71 °C |
| Boiling Point: | 254.972 °C at 760 mmHg |
| Flash Point: | 108.003 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25-37/38-41 |
| Safety: | 26-39-45 |
| Transport Information: | UN 2811 |
| PSA: | 12.89000 |
| LogP: | 3.15090 |
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| Conditions | Yield |
|---|---|
| With methanol In acetonitrile | 93% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 80℃; | 80% |
- 866755-20-6
3-bromo-2, 6-dichloropyridine
- 2042-14-0
4-methyl-5-nitrophenol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 20℃; | 56% |
- 866755-20-6
3-bromo-2, 6-dichloropyridine
- 62-53-3
aniline
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In acetonitrile at 140℃; for 1h; Inert atmosphere; | A 30% B 8% |
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 60℃; for 5h; Inert atmosphere; | 10% |
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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