ChemicalBook--->CAS DataBase List--->25194-01-8

25194-01-8

25194-01-8 Structure

25194-01-8 Structure
IdentificationBack Directory
[Name]

2 6-DICHLORO-4-NITROPYRIDINE 97
[CAS]

25194-01-8
[Synonyms]

benzylsulfonylmethylbenzene
2,6-Dichloro-4-nitropyridine
Pyridine,2,6-dichloro-4-nitro-
2,6-Dichloro-4-nitropyridine 97%
2 6-DICHLORO-4-NITROPYRIDINE 97
phenylmethylsulfonylmethylbenzene
2 6-DICHLORO-4-NITROPYRIDINE 97 ISO 9001:2015 REACH
[Molecular Formula]

C5H2Cl2N2O2
[MDL Number]

MFCD05670545
[MOL File]

25194-01-8.mol
[Molecular Weight]

192.99
Chemical PropertiesBack Directory
[Melting point ]

94-98 °C
[Boiling point ]

282.9±35.0 °C(Predicted)
[density ]

1.629±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Gold to faint brown/tan, tiny crystalline flakes
[pka]

-5.10±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C5H2Cl2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
[InChIKey]

BZYQSSVTQJTUDD-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC(Cl)=CC([N+]([O-])=O)=C1
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

22-37/38-41-43-36/37/38
[Safety Statements ]

26-39-36/37/39
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

2,6-Dichloro-4-nitropyridine (cas# 25194-01-8) is a compound useful in organic synthesis.
[Synthesis Reference(s)]

Synthetic Communications, 18, p. 659, 1988 DOI: 10.1080/00397918808077351
[Synthesis]

2,6-DICHLOROPYRIDINE N-OXIDE

2587-00-0

2 6-DICHLORO-4-NITROPYRIDINE  97

25194-01-8

The general procedure for the synthesis of 2,6-dichloro-4-nitropyridine from 2,6-dichloropyridine-N-oxide was as follows: 2,6-dichloropyridine-N-oxide (12.8 g, 78 mmol) was added to a mixed solution consisting of 95% concentrated nitric acid (21 mL) and 98% concentrated sulfuric acid (50 mL). The reaction was stirred at 148 °C for 1 h. The temperature was subsequently raised to 156 °C until no more nitrogen dioxide gas was released. After completion of the reaction, the reaction solution was cooled to room temperature and slowly poured into 150 g of ice water. The pH of the mixture was adjusted to 6 with ammonia, at which point a solid product precipitated. The solid was collected by filtration and the resulting crude product was recrystallized with petroleum ether to give 10 g of yellow solid product in 66.4% yield.

[References]

[1] Patent: US2012/289497, 2012, A1. Location in patent: Page/Page column 51-52
[2] Patent: EP2524917, 2012, A1. Location in patent: Page/Page column 58-59
[3] Organic Letters, 2004, vol. 6, # 5, p. 659 - 662
[4] Nucleosides, Nucleotides and Nucleic Acids, 2003, vol. 22, # 12, p. 2133 - 2144
Spectrum DetailBack Directory
[Spectrum Detail]

2 6-DICHLORO-4-NITROPYRIDINE 97(25194-01-8)1HNMR
2 6-DICHLORO-4-NITROPYRIDINE 97(25194-01-8)FT-IR
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