2,6-Di-Tert-Butyl-4-Nitrophenol

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Properties Simple | Detailed

Formula C14H21NO3
IUPAC Name 2,6-ditert-butyl-4-nitro-phenol
Molecular Mass 251.321 g·mol−1
Heat of Formation -314.5 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 319.69 Å 3
Surface Area 276.79 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-ditert.butyl,2-hydroxy,5-nitro-benzene
  • 2,6-bis(1,1-dimethylethyl)-4-nitrophenol
  • 2,6-di(tert-butyl)-4-nitrobenzenol
  • 2,6-ditert-butyl-4-nitrophenol
  • 7l-850
  • ag-205/01424014
  • bay 28589
  • bayer 28,589
  • bayer 28589
  • bayer 4889
  • ent 25,569
  • oprea1_462619
  • phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro-
  • phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (9ci)
  • phenol, 2,6-di-tert-butyl-4-nitro-
CAS Number(s)
  • 728-40-5
InChIKey FCGKUUOTWLWJHE-UHFFFAOYSA-N
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