3,4,5,6-Tetrachlorophenolphthalein

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Properties Simple | Detailed

Formula C20H10Cl4O4
IUPAC Name 4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one
Molecular Mass 456.103 g·mol−1
Heat of Formation -492.5 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 445.92 Å 3
Surface Area 366.76 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetrachloro-
  • 3,4,5,6-tetrachloro-alpha-(p-hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadienylidene)-o-toluic acid
  • 4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone
  • 4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
  • 4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)phthalide
  • 4,5,6,7-tetrachlorophenolphthalein
  • phenoltetrachlorophthalein
CAS Number(s)
  • 639-44-1
InChIKey NPARLLRHBQQQDY-UHFFFAOYSA-N
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Elements H C O Cl