2,4-Dinitro-6-Tert-Butylphenyl Methanesulfonate

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Formula C11H14N2O7S
IUPAC Name (2-tert-butyl-4,6-dinitro-phenyl) methanesulfonate
Molecular Mass 318.303 g·mol−1
Heat of Formation -545.5 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 333.84 Å 3
Surface Area 284.22 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2-tert-butyl-4,6-dinitrophenyl) methanesulfonate
  • 2,4-dinitro-6-tert-butylphenylmethanesulfonate
  • 2-(1,1-dimethylethyl)-4,6-dinitrophenyl methanesulfonate
  • he 166
  • methanesulfonic acid (2-tert-butyl-4,6-dinitro-phenyl) ester
  • methanesulfonic acid (2-tert-butyl-4,6-dinitrophenyl) ester
  • phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-, methanesulfonate (ester)
  • phenol, 2-tert-butyl-4,6-dinitro-, methanesulfonate (ester)
  • preparation he 166
CAS Number(s)
  • 72497-33-7
  • 29110-68-7
InChIKey XKKQXGQLSJXQOS-UHFFFAOYSA-N
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