2-(2,4,5,7-Tetrabromo-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H8Br4O5
IUPAC Name 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
Molecular Mass 647.891 g·mol−1
Heat of Formation -373.1 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 480.73 Å 3
Surface Area 394.45 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 17372-87-1 (disodium sal)
  • 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid
  • 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
  • 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
  • 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
  • benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3h-xanthen-9-yl)-
  • c.i. acid red 87 (*disodium salt*)
  • cbchromo1_000099
  • cbdive_002995
  • eosin yellowish (*disodium salt*)
CAS Number(s)
  • 152-75-0
InChIKey AZXGXVQWEUFULR-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br