Chem
J-GLOBAL ID：200907033364944956   Nikkaji number：J746.351K

PCDE-99

2,2′,4,4′,5-ペンタクロロジフェニルエーテル
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： C12H5Cl5O
Molecular formula furigana： C12-H5-CL5-O
Molecular weight： 342.420
InChI： InChI=1S/C12H5Cl5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
InChI key： AVURWLKSFZBANQ-UHFFFAOYSA-N
SMILES： Clc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
Systematic name  (4)：
  • 2,2′,4,4′,5-ペンタクロロジフェニルエーテル
  • 2,4,5-トリクロロフェニル2,4-ジクロロフェニルエーテル
  • 1,2,4-トリクロロ-5-(2,4-ジクロロフェノキシ)ベンゼン
  • 1,2,4-trichloro-5-(2,4-dichlorophenoxy)benzene
Other name (3)：
  • 2,4,5-Trichlorophenyl 2,4-dichlorophenyl ether
  • 2,2′,4,4′,5-Pentachlorodiphenyl ether
  • PCDE-99
KEGG COMPOUND： C11044
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