2',4,4',6-Tetrabromo-6'-Hydroxy-2-Biphenylyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H7Br4O5P
IUPAC Name [3,5-dibromo-2-(2,4-dibromo-6-hydroxy-phenyl)phenyl] dihydrogen phosphate
Molecular Mass 581.771 g·mol−1
Heat of Formation -985.9 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 401.11 Å 3
Surface Area 324.03 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-biphenyldiol, 4,4',6,6'-tetrabromo-, mono(dihydrogen phosphate)
  • 3,3',5,5'-tetrabromo-(1,1'-biphenyl)-2,2'-diol mono(dihydrogen phosphate)
  • 4,4',6,6'-tetrabromo-2'-hydroxy(1,1'-biphenyl)-2-yl dihydrogen phosphate
  • 4,4',6,6'-tetrabromo-2,2'-biphenyldiol mono(dihydrogen phosphate)
  • [3,5-dibromo-2-(2,4-dibromo-6-hydroxyphenyl)phenyl] dihydrogen phosphate
CAS Number(s)
  • 23015-40-9
InChIKey GGGATFRVOBEKQO-UHFFFAOYSA-N
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Elements P C O Br H