Picoline-N-oxide

Last updated
Picoline-N-oxides
Picoline-N-oxides.svg
Chemical structures of 2-, 3-, and 4-picoline-N-oxide (left to right)
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
  • 2-Picoline-N-oxide: 13013
  • 3-Picoline-N-oxide: 13258
  • 4-Picoline-N-oxide: 13257
EC Number
  • 2-Picoline-N-oxide:213-230-3
  • 3-Picoline-N-oxide:213-714-4
  • 4-Picoline-N-oxide:213-712-3
PubChem CID
  • 2-Picoline-N-oxide: 13602
  • 3-Picoline-N-oxide: 13858
  • 4-Picoline-N-oxide: 13857
UNII
  • 2-Picoline-N-oxide:InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
    Key: CFZKDDTWZYUZKS-UHFFFAOYSA-N
  • 3-Picoline-N-oxide:InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
    Key: DMGGLIWGZFZLIY-UHFFFAOYSA-N
  • 4-Picoline-N-oxide:InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
    Key: IWYYIZOHWPCALJ-UHFFFAOYSA-N
  • 2-Picoline-N-oxide:CC1=CC=CC=[N+]1[O-]
  • 3-Picoline-N-oxide:CC1=C[N+](=CC=C1)[O-]
  • 4-Picoline-N-oxide:CC1=CC=[N+](C=C1)[O-]
Properties
C6H7NO
Molar mass 109.128 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Picoline-N-oxide describes any of three isomers with the formula CH3C5H4NO. All are colorless solids. Their properties and those of pyridine-N-oxide (C5H5NO) are similar.

Picoline-N-oxides (data from Chemical Abstracts unless noted otherwise)
Parameter2-Picoline-N-oxide3-Picoline-N-oxide4-Picoline-N-oxide
Melting point (°C)48-5039184
Boiling point (°C)89-90 (0.8-0.9 Torr) [1] 156 (16 Torr)122-124 (1.5 Torr)

References

  1. ↑ Ross, Sidney D.; Kelley, Donald J.; Labes, Mortimer M. (1956). "Molecular Compounds. VII. Interactions between 1,3,5-Trinitrobenzene and Pyridine-N-Oxides in Chloroform Solution". Journal of the American Chemical Society. 78 (15): 3625–3627. Bibcode:1956JAChS..78.3625R. doi:10.1021/ja01596a019.
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