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Cas Database |
| Name |
Pyridine,2,6-dichloro-, 1-oxide |
EINECS | N/A |
| CAS No. | 2587-00-0 | Density | 1.47 g/cm3 |
| PSA | 25.46000 | LogP | 2.42190 |
| Solubility | N/A | Melting Point |
138-142oC(lit.) |
| Formula | C5H3Cl2NO | Boiling Point | 344.2 °C at 760 mmHg |
| Molecular Weight | 163.991 | Flash Point | 162 °C |
| Transport Information | N/A | Appearance | Slightly yellow-cream crystalline powder |
| Safety | 36/37/39-26-22 | Risk Codes | 36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
2,6-Dichloropyridine1-oxide;2,6-Dichloropyridine-N-oxide;NSC 136569; |
Article Data | 31 |
Pyridine,2,6-dichloro-, 1-oxide Synthetic route
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; trifluoroacetic acid at 80℃; for 2h; Reagent/catalyst; Temperature; | 90.15% |
| With dihydrogen peroxide; trifluoroacetic acid In water at 0℃; for 6.5h; Reflux; | 87.6% |
| With dihydrogen peroxide; trifluoroacetic acid In water for 6.5h; Reflux; | 87.6% |
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid |
| Conditions | Yield |
|---|---|
| With 2-methyl-but-2-ene; trans-dioxo(5,10,15,20-tetramesitylporphirinato)ruthenium(VI) In benzene at 30℃; for 15h; | 94% |
| With (4,4′-di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) hexafluorophosphate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 0.75h; Inert atmosphere; Irradiation; chemoselective reaction; | 92% |
| With ammonium formate; silica gel; zinc In methanol at 20℃; for 0.166667h; chemoselective reaction; | 88% |
- 2587-00-0
2,6-dichloropyridine N-oxide
- 111-87-5
octanol
- 162912-64-3
1-hydroxy-6-(octyloxy)pyridine-2(1H)-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20 - 120℃; pH=3.5 - 4.0; Reflux; | 90.6% |
- 2587-00-0
2,6-dichloropyridine N-oxide
- 16063-69-7
2,4,6-trichloropyridine
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 4h; Reflux; | 85% |
| With trichlorophosphate for 4h; Reflux; | 85% |
| With trichlorophosphate for 4h; Reflux; | 85% |
- 2587-00-0
2,6-dichloropyridine N-oxide
- 1415388-29-2
C5H4BCl2NO3
| Conditions | Yield |
|---|---|
| With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; bis(pinacol)diborane; 4,4'-di-tert-butyl-2,2'-bipyridine | 85% |
| Conditions | Yield |
|---|---|
| With Mor-DaIPhos-AuCl; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,2-dichloro-ethane at 60℃; for 20h; | 77% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; zinc In ethanol at 55 - 60℃; for 3h; | A n/a B 75% |
- 2587-00-0
2,6-dichloropyridine N-oxide
| Conditions | Yield |
|---|---|
| In fluorobenzene at 20℃; for 0.0833333h; Inert atmosphere; | 73% |
- 15446-14-7
1-allylsulfanyl-4-chloro-benzene
- 2587-00-0
2,6-dichloropyridine N-oxide
- 536-74-3
phenylacetylene
| Conditions | Yield |
|---|---|
| With Mor-DaIPhos-AuCl; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,2-dichloro-ethane at 60℃; for 8h; | 70% |
Pyridine,2,6-dichloro-, 1-oxide Specification
The Pyridine,2,6-dichloro-, 1-oxide, with the CAS registry number 2587-00-0, is also known as 2,6-Dichloropyridine n-oxide. It belongs to the product categories of Categories: Heterocyclic Compounds; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C5H3Cl2NO and molecular weight is 163.99. What's more, its IUPAC name is 2,6-Dichloro-1-oxidopyridin-1-ium and its systematic name is 2,6-Dichloropyridine 1-oxide.
Physical properties about this chemical are: (1)ACD/LogP: 0.00; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 24.11 Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 37.04 cm3; (9)Molar Volume: 110.9 cm3; (10)Polarizability: 14.68×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.47 g/cm3; (13)Flash Point: 162 °C; (14)Enthalpy of Vaporization: 56.49 kJ/mol; (15)Boiling Point: 344.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000133 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and it is harmful if it is swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. Do not breathe dust.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1c(Cl)cccc1Cl
(2) InChI: InChI=1/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
(3) InChIKey: RFOMGVDPYLWLOC-UHFFFAOYAM
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