Methyl 2-[(3,5-Dibromo-4-Hydroxyphenyl)(3,5-Dibromo-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H12Br4O4
IUPAC Name methyl 2-[(3,5-dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate
Molecular Mass 647.934 g·mol−1
Heat of Formation -220.6 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 512.1 Å 3
Surface Area 411.04 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3,5-dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-keto-1-cyclohexa-2,5-dienylidene)methyl]benzoic acid methyl ester
  • 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoic acid methyl ester
  • 3,5,3',5'-tetrabromophenolphthalein methyl ester
  • benzoic acid, 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-, methyl ester
  • methyl 2-[(3,5-dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate
  • methyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate
  • tbpme
CAS Number(s)
  • 65184-11-4
InChIKey GRDVXFMWJFTJHO-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