Cas no 53134-89-7 (Anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)-)

Anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)- structure
53134-89-7 structure
Product Name:Anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)-
CAS No:53134-89-7
MF:C30H17F
MW:396.454391241074
CID:387015
PubChem ID:333924
Update Time:2025-04-19

Anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)- Chemical and Physical Properties

Names and Identifiers

    • Anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)-
    • 1-fluoro-9,10-bis(2-phenylethynyl)anthracene
    • 1-Fluoro-9,10-bis(phenylethynyl)anthracene
    • 53134-89-7
    • NSC338067
    • NSC-338067
    • SCHEMBL10491818
    • DTXSID80318918
    • Inchi: 1S/C30H17F/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H
    • InChI Key: YCKSJJIBZGMBEH-UHFFFAOYSA-N
    • SMILES: FC1C=CC=C2C(C#CC3C=CC=CC=3)=C3C=CC=CC3=C(C#CC3C=CC=CC=3)C2=1

Computed Properties

  • Exact Mass: 396.13151
  • Monoisotopic Mass: 396.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 727
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.27
  • Boiling Point: 616.6°Cat760mmHg
  • Flash Point: 356.7°C
  • Refractive Index: 1.74
  • PSA: 0

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