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Home > Encyclopedia > 4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione

4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione

4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione structure

4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione 

structure
  • CAS No:

    53580-21-5

  • Formula:

    C12H7F7O2

  • Chemical Name:

    4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione

  • Synonyms:

    4,4,5,5,6,6,6-heptafluoro-1-phenylhexane-1,3-dione;

  • Categories:

    Organic Chemistry  >  Coordination Complexes

4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione Basic Attributes

316.17200

316.03342660

DTXSID90382160

2914700090

Characteristics

34.14000

3.66140

1.421g/cm3

70ºC 0,1mm

98.3ºC

1.416

Safety Information

R36/37/38

S26; S36

Xi

4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione Use and Manufacturing

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:316.17
XLogP3:3.9
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:316.03342660
Monoisotopic Mass:316.03342660
Topological Polar Surface Area:34.1
Heavy Atom Count:21
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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