Chem
J-GLOBAL ID：200907079942262316   Nikkaji number：J767.355H

BDE-99

BDE-99
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H5Br5O
Molecular formula furigana： C12-H5-BR5-O
Molecular weight： 564.691
InChI： InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
InChI key： WHPVYXDFIXRKLN-UHFFFAOYSA-N
SMILES： Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
Systematic name  (7)：
  • 2,2′,4,4′,5-ペンタブロモジフェニルエーテル
  • (2,4,5-トリブロモフェニル)(2,4-ジブロモフェニル)エーテル
  • 2,2′,4,4′,5-ペンタブロモ[1,1′-オキシビスベンゼン]
  • (2,4-ジブロモフェニル)(2,4,5-トリブロモフェニル)エーテル
  • 1-(2,4-ジブロモフェノキシ)-2,4,5-トリブロモベンゼン
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Other name (7)：
  • 2,2′,4,4′,5-Pentabromodiphenyl ether
  • PBDE-99
  • (2,4,5-Tribromophenyl)(2,4-dibromophenyl) ether
  • 2,2′,4,4′,5-Pentabromo[1,1′-oxybisbenzene]
  • (2,4-Dibromophenyl)(2,4,5-tribromophenyl) ether
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CAS registry number： 60348-60-9
KEGG COMPOUND： C18203
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