Chem
J-GLOBAL ID：200907060946689494   Nikkaji number：J287.513F

4,4′-(Hexafluoroisopropylidene)bis(phthalic acid diethyl) ester

4,4′-ビス(トリフルオロメチル)メチレンビス(フタル酸ジエチル)
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： C27H26F6O8
Molecular formula furigana： C27-H26-F6-O8
Molecular weight： 592.487
InChI： InChI=1S/C27H26F6O8/c1-5-38-21(34)17-11-9-15(13-19(17)23(36)40-7-3)25(26(28,29)30,27(31,32)33)16-10-12-18(22(35)39-6-2)20(14-16)24(37)41-8-4/h9-14H,5-8H2,1-4H3
InChI key： SHDCCUHYEVELSX-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccc(cc1C(=O)OCC)C(c1ccc(C(=O)OCC)c(c1)C(=O)OCC)(C(F)(F)F)C(F)(F)F
Systematic name  (5)：
  • 4,4′-[2,2,2-トリフルオロ-1-(トリフルオロメチル)エチリデン]ビス(1,2-ベンゼンジカルボン酸ジエチル)
  • 4,4′-(ヘキサフルオロイソプロピリデン)ビス(フタル酸ジエチル)
  • 4,4′-ビス(トリフルオロメチル)メチレンビス(フタル酸ジエチル)
  • 1,2-ジエチル 4-{2-[3,4-ビス(エトキシカルボニル)フェニル]-1,1,1,3,3,3-ヘキサフルオロプロパン-2-イル}ベンゼン-1,2-ジカルボキシラート
  • 1,2-diethyl 4-{2-[3,4-bis(ethoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzene-1,2-dicarboxylate
Other name (3)：
  • 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(1,2-benzenedicarboxylic acid diethyl) ester
  • 4,4′-(Hexafluoroisopropylidene)bis(phthalic acid diethyl) ester
  • 4,4′-Bis(trifluoromethyl)methylenebis(phthalic acid diethyl) ester
CAS registry number： 67846-42-8
Regulation number (2)：
  • EINECS2673658
  • TSCA(67846-42-8)
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