3,3-Bis(4-Hydroxy-3,5-Diiodophenyl)-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C20H10I4O4
IUPAC Name 3,3-bis(4-hydroxy-3,5-diiodo-phenyl)isobenzofuran-1-one
Molecular Mass 821.909 g·mol−1
Heat of Formation -24.0 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 520.25 Å 3
Surface Area 428.3 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3,5-diiodophenyl)-
  • 3′,3′′,5′,5′′-tetraiodophenolphthalein
  • 3',3'',5',5''-tetraiodophenolphthalein
  • 3,3-bis(4-hydroxy-3,5-diiodo-phenyl)-2-benzofuran-1-one
  • 3,3-bis(4-hydroxy-3,5-diiodophenyl)-1(3h)-isobenzofuranone
  • 3,3-bis(4-hydroxy-3,5-diiodophenyl)-1-isobenzofuranone
  • 3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one
  • 3,3-bis(4-hydroxy-3,5-diiodophenyl)phthalide
  • iodophene
  • iodophthalein
  • iodophthalein sodium free acid
  • jodphthaleinum
  • phenolphthalein, 3',3'',5',5''-tetraiodo-
  • t0515-3074
CAS Number(s)
  • 561-28-4
InChIKey FWQKRBDABCRWKV-UHFFFAOYSA-N
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