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

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Properties Simple | Detailed

Formula C22H14Br4O4
IUPAC Name ethyl 2-[(3,5-dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate
Molecular Mass 661.960 g·mol−1
Heat of Formation -263.6 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 532.36 Å 3
Surface Area 415.82 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.98 ± 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 ethyl ester
  • 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoic acid ethyl ester
  • 3',3'',5',5''-tetrabromophenolphthalein ethyl ester
  • 3',3'',5',5''-tetrabromophenolphthalein, ethyl ester
  • 3',3'',5',5''-tetrabromophenolphthaleinethyl ester
  • 3',3',5',5"-tetrabromophenylphthalein, ethyl ester
  • benzoic acid, 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-, ethyl ester
  • benzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester
  • brom phthalein magenta e
  • bromophthalein margenta e
  • chromoionophore viii
  • ethyl 2-[(3,5-dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate
  • ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate
  • ethyl tetrabromophenolphthalein
  • o-toluic acid, .alpha.-(3,5-dibromo-4-hydroxyphenyl)-.alpha.-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-, ethyl ester
  • tetrabromophenolphthalein ethyl ester
  • tetrabromophenolphthalein, ethyl ester
CAS Number(s)
  • 117882-09-4
  • 136963-99-0
InChIKey SQFXATUXPUCFFO-UHFFFAOYSA-N
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Elements H C O Br