Bis[2-(perfluorohexyl)ethyl] phosphate

CAS Registry Number®

57677-95-9
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CAS Name

Bis[2-(perfluorohexyl)ethyl] phosphate

Molecular Formula

C16H9F26O4P

Molecular Mass

790.17

Cite this Page

Bis[2-(perfluorohexyl)ethyl] phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57677-95-9 (retrieved 2024-04-28) (CAS RN: 57677-95-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)

InChIKey

InChIKey=ZDYYWMSLMLTXDM-UHFFFAOYSA-N

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CCOP(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)O)(F)F)(F)F)(F)F

Canonical SMILES

O=P(O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Other Names for this Substance

  • 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, 1,1′-(hydrogen phosphate)
  • 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, hydrogen phosphate
  • Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octanol),hydrogen phosphate
  • Bis[2-(perfluorohexyl)ethyl] phosphate
  • 6:2 Polyfluoroalkylphosphoric acid diester

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Deleted or Replaced CAS Registry Numbers

856758-93-5, 250598-40-4

CAS INSIGHTSTM
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