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2587-00-0

Basic Information
CAS No.: 2587-00-0
Name: 2,6-DICHLOROPYRIDINE N-OXIDE
Article Data: 31
Molecular Structure:
Molecular Structure of 2587-00-0 (2,6-DICHLOROPYRIDINE N-OXIDE)
Formula: C5H3Cl2NO
Molecular Weight: 163.991
Synonyms: 2,6-Dichloropyridine1-oxide;2,6-Dichloropyridine-N-oxide;NSC 136569;
Density: 1.47 g/cm3
Melting Point: 138-142oC(lit.)
Boiling Point: 344.2 °C at 760 mmHg
Flash Point: 162 °C
Appearance: Slightly yellow-cream crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 36/37/39-26-22
PSA: 25.46000
LogP: 2.42190
Synthetic route
2402-78-0

2,6-dichloropyridine

2587-00-0

2,6-dichloropyridine N-oxide

Conditions
ConditionsYield
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%
2402-78-0

2,6-dichloropyridine

7722-84-1

dihydrogen peroxide

2587-00-0

2,6-dichloropyridine N-oxide

Conditions
ConditionsYield
With trifluoroacetic acid
2587-00-0

2,6-dichloropyridine N-oxide

2402-78-0

2,6-dichloropyridine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; bis(pinacol)diborane; 4,4'-di-tert-butyl-2,2'-bipyridine85%
2587-00-0

2,6-dichloropyridine N-oxide

6334-55-0

allyl (4-bromophenyl)sulfide

536-74-3

phenylacetylene

2-(4-bromophenylthio)-1-phenylpent-4-en-1-one

Conditions
ConditionsYield
With Mor-DaIPhos-AuCl; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,2-dichloro-ethane at 60℃; for 20h;77%
2587-00-0

2,6-dichloropyridine N-oxide

A

109-09-1

2-chloropyridine

B

2402-78-0

2,6-dichloropyridine

Conditions
ConditionsYield
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

[(N,N’-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)Ge{CH(SiMe3)2}][(3,5-(CF3)2C6H3)4]

C32H12BF24(1-)*C39H58Cl2GeN3O2Si2(1+)

Conditions
ConditionsYield
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

2-(4-chlorophenylthio)-1-phenylpent-4-en-1-one

Conditions
ConditionsYield
With Mor-DaIPhos-AuCl; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,2-dichloro-ethane at 60℃; for 8h;70%
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  • 2,6-Dichloropyridine-N-oxide

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    2,6-Dichloropyridine-N-oxide

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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