1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, 1,1′,1′′-phosphate

CAS Registry Number®

563-09-7
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CAS Name

1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, 1,1′,1′′-phosphate

Molecular Formula

C12H6F21O4P

Molecular Mass

644.11

Cite this Page

1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, 1,1′,1′′-phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=563-09-7 (retrieved 2024-04-29) (CAS RN: 563-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    65-70 °C @ Press: 0.5 Torr

  • Melting Point (2)

    1.5-1.75 °C

  • Density (3)

    1.7163 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H6F21O4P/c13-4(14,7(19,20)10(25,26)27)1-35-38(34,36-2-5(15,16)8(21,22)11(28,29)30)37-3-6(17,18)9(23,24)12(31,32)33/h1-3H2

InChIKey

InChIKey=SEKXXYCKRMKLQG-UHFFFAOYSA-N

SMILES

P(OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)=O

Canonical SMILES

O=P(OCC(F)(F)C(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F

Other Names for this Substance

  • 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, 1,1′,1′′-phosphate
  • 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, phosphate (3:1)
  • 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, phosphate
  • Tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate

Deleted or Replaced CAS Registry Numbers

100125-44-8

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