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Home > Encyclopedia > 2-Chloro-5-methyl-4-nitropyridine N-oxide

2-Chloro-5-methyl-4-nitropyridine N-oxide

2-Chloro-5-methyl-4-nitropyridine N-oxide structure

2-Chloro-5-methyl-4-nitropyridine N-oxide 

structure
  • CAS No:

    60323-96-8

  • Formula:

    C6H5ClN2O3

  • Chemical Name:

    2-Chloro-5-methyl-4-nitropyridine N-oxide

  • Synonyms:

    Pyridine,2-chloro-5-methyl-4-nitro-,1-oxide;2-Chloro-5-methyl-4-nitropyridine 1-oxide;2-Chloro-5-methyl-4-nitropyridine N-oxide;2-Chloro-5-methyl-4-nitropyridin-1-ium-1-olate;2-Chloro-5-methyl-4-nitro-1-oxidopyridin-1-ium;2-Chloro-5-methyl-4-nitropyridin-1-ium 1-oxide

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-Chloro-5-methyl-4-nitropyridine N-oxide Basic Attributes

188.57

188.57

813-043-2

DTXSID90487987

2933399090

Characteristics

71.3

1

1.53±0.1 g/cm3(Predicted)

154-155 °C

Room temperature.

Safety Information

P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P380, P372, P373, P401, P403+P233, P405, P501

H201

|Danger|H201 (100%): Explosive; mass explosion hazard [Danger Explosives]|P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P380, P372, P373, P401, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Chloro-5-methyl-4-nitropyridine N-oxide Use and Manufacturing

Step 2. Preparation of2-chloro-5-methyl-4-nitropyridine-l-oxide.; To a mixture of 165 mL of nitric acid and 209 mL of sulfuric acid was slowly added 56.4 g of 2-chloro-5-methylpyridine-l-oxide. The reaction mixture was stirred at 100To a mixture of 165 mL of nitric acid and 209 mL of sulfuric acid was slowly added 56.4 g of 2-chloro-5-methylpyridine-1-oxide. To a mixture of fuming nitric acid (4.5 mL) and sulfuric acid (6 mL) was slowly added 2-chloro-5-methylpyridine-1-oxide (1.4 g, 9.7 mmol). The mixture was then heated at 100° C. for 2 h. The mixture was cooled to RT, poured into crushed ice, and then neutralized by the addition of solid sodium carbonate. The mixture was extracted with ethyl acetate, and the organic layer was dried over sodium sulfate, and evaporated under reduced pressure to give 2-chloro-5-methyl-4-nitropyridine 1-oxide (1.3 g, 72percent). 1HNMR (400 MHz, CDCl50 g of the product of Step 1 was put into a flask, 44 mL of concentrated sulfuric acid was added dropwise at a low temperature, Then heated to 70 °C, 58mL concentrated sulfuric acid and 48 mL smoke nitric acid mixed acid, After completion of the reaction constant temperature dropping about 3h, The reaction was monitored by TLC. After completion of the reaction, the mixture was poured into ice water, stirred, filtered, and washed three times with ice water, and dried to give 39 g of a pale yellow solid in a yield of 60percent, mp = 157-160 °C.Step 1:

Computed Properties

Molecular Weight:188.57
XLogP3:1
Hydrogen Bond Acceptor Count:3
Exact Mass:187.9988697
Monoisotopic Mass:187.9988697
Topological Polar Surface Area:71.3
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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