2',4',5',7'-Tetrabromo-3',6'-Dihydroxy-5-Isothiocyanato-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Formula C21H7Br4NO5S
IUPAC Name 2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 704.965 g·mol−1
Heat of Formation -229.1 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 532.99 Å 3
Surface Area 438.0 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
  • eosin isothiocyanate
  • eosine-5-isothiocyanate
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-5-isothiocyanato-
CAS Number(s)
  • 60520-47-0
InChIKey XHXYXYGSUXANME-UHFFFAOYSA-N
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Elements C H O N S Br