Chem
J-GLOBAL ID：200907079268929784   Nikkaji number：J151.752J

BDE-47

BDE-47
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： C12H6Br4O
Molecular formula furigana： C12-H6-BR4-O
Molecular weight： 485.795
InChI： InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChI key： XYBSIYMGXVUVGY-UHFFFAOYSA-N
SMILES： Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
Systematic name  (7)：
  • 2,2′,4,4′-テトラブロモジフェニルエーテル
  • ビス(2,4-ジブロモフェニル)エーテル
  • 4,4′-オキシビス(1,3-ジブロモベンゼン)
  • 2,2′,4,4′-テトラブロモ[1,1′-オキシビスベンゼン]
  • 1,1′-オキシビス(2,4-ジブロモベンゼン)
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Other name (6)：
  • Bis(2,4-dibromophenyl) ether
  • 4,4′-Oxybis(1,3-dibromobenzene)
  • PBDE-47
  • 2,2′,4,4′-Tetrabromo[1,1′-oxybisbenzene]
  • 1,1′-Oxybis(2,4-dibromobenzene)
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CAS registry number： 5436-43-1
Regulation number (1)：
  • (3)-61
KEGG COMPOUND： C18205
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