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5-Chloro-3-fluoro-2-nitropyridine

5-Chloro-3-fluoro-2-nitropyridine structure

5-Chloro-3-fluoro-2-nitropyridine 

structure
  • CAS No:

    1064783-29-4

  • Formula:

    C5H2ClFN2O2

  • Chemical Name:

    5-Chloro-3-fluoro-2-nitropyridine

  • Synonyms:

    5-Chloro-3-fluoro-2-nitropyridine;SCHEMBL3668043;KS-00000PPN;DTXSID20701623;5-Chloro-3-fluoro-2-nitropyridin;ZINC88189955;AKOS016013151;CS-W018984;DS-5168;MP-1620

  • Categories:

    Chemical Reagents  >  Organic Reagents

5-Chloro-3-fluoro-2-nitropyridine Basic Attributes

176.5329832

175.978882

DTXSID20701623

Characteristics

58.7

1.7

1.595±0.06 g/cm3(Predicted)

266.7±35.0 °C(Predicted)

115.1±25.9 °C

1.560

5-Chloro-3-fluoro-2-nitropyridine Use and Manufacturing

4(b) 5-chloro-3-fluoro-2-nitropyridine: To a 250 mL flask equipped with a stir bar was added 2-amino-5-chloro-3-fluoropyridine (1.5 g, 1.46 mmol) and concentrated sulfuric acid (50 mL). The mixture was stirred until homogeneous, followed by the addition potassium thiosulfate (13 g, 50 mmol) in small aliquots. The mixture was allowed to stir overnight, initially turning a light green color before settling into a deep yellow. The solution was then poured onto 500 g of ice and allowed to stir for 10 minutes before solid sodium carbonate was added in portions until the pH reached 8-10. The product was extracted with ethyl acetate, concentrated to dryness and purified by column chromatography (10-15percent ethyl acetate in hexanes) to afford 5-chloro-3-fluoro-2-nitropyridine (0.99 g, 5.6 mmol, 54percent yield), characterized by 1H NMR (d5-Chloro-3-fluoropyridin-2-amine (500.0 mg, 3.41 mmol) was dissolved in H

Computed Properties

Molecular Weight:176.53
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Exact Mass:175.9788832
Monoisotopic Mass:175.9788832
Topological Polar Surface Area:58.7
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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