2,6-Dimethylphenyl Nitromethyl Sulfone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11NO4S
IUPAC Name 1,3-dimethyl-2-(nitromethylsulfonyl)benzene
Molecular Mass 229.253 g·mol−1
Heat of Formation -323.3 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 246.88 Å 3
Surface Area 220.3 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6-dimethylphenylsulfonyl)nitromethane
  • benzene, 1,3-dimethyl-2-((nitromethyl)sulfonyl)-
  • ici 215918
  • ici-215918
CAS Number(s)
  • 122263-14-3
InChIKey IKODJCPZKSJKPF-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N