2-Methylisonicotinonitrile 1-oxide | CAS No. 98549-84-9

2-Methylisonicotinonitrile 1-oxide

Basic Information

CAS Number

98549-84-9

Molecular Formula

C7H6N2O

Molecular Weight

134.14 g/mol

AD

Basic Physical Properties

CC1=[N+](C=CC(=C1)C#N)[O-]

InChI

InChI=1S/C7H6N2O/c1-6-4-7(5-8)2-3-9(6)10/h2-4H,1H3

InChIKey

FWSVBGMCOYLNMK-UHFFFAOYSA-N

LogP

1.29518

Complexity

160

Synonyms & References

English

  • 4-Pyridinecarbonitrile,2-methyl-,1-oxide(9CI)
  • SCHEMBL8270009
  • 2-methyl-1-oxidopyridin-1-ium-4-carbonitrile
  • 98549-84-9
  • 4-Cyano-2-methylpyridine 1-oxide
  • 2-methyl-1-azaxanthone-N-oxide
  • 2-Methyl-1-oxy-isonicotinonitril
  • 2-methyl-1-oxy-isonicotinonitrile
  • 4-Cyano-2-picoline-N-oxide

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9)?

2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9) is a crystalline solid with a molecular weight of approximately 162.14 g/mol. It has a pungent odor and is slightly soluble in water. It is reactive towards bases and can undergo hydrolysis. It is also soluble in organic solvents like ethanol and acetone. It exhibits good thermal stability up to 150°C and is a potential precursor in various chemical reactions.

How is 2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9) typically synthesized?

2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9) can be synthesized by the reaction of 2-methylisonicotinonitrile with a reactive oxide source, such as hydrogen peroxide or sodium hypochlorite. The synthesis typically involves a two-step process: first, the nitrile undergoes an oxidative deamination to form the amide, and then it is oxidized to the 1-oxide. This process is selective and yields a high purity product.

What industries use 2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9)?

2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9) is primarily used in pharmaceuticals for the synthesis of certain active pharmaceutical ingredients (APIs). It is also utilized in the production of sensors and as a precursor in the development of new materials, including polymers and semiconductors. Its unique chemical properties make it valuable in these applications.

What precautions should be taken when handling 2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9)?

When handling 2-Methylisonicotinonitrile 1-oxide (CAS: 98549-84-9), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the chemical. In case of a spill, immediately clean up the area and follow the procedures outlined in the Safety Data Sheet (SDS). Always ensure proper ventilation and store the compound in a cool, dry place away from strong acids and bases.

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