Cas no 61735-78-2 (2,10-difluorobenzo(a,i)pyrene)

2,10-difluorobenzo(a,i)pyrene structure
2,10-difluorobenzo(a,i)pyrene structure
Product Name:2,10-difluorobenzo(a,i)pyrene
CAS No:61735-78-2
MF:C24H12F2
MW:338.348893165588
CID:955025
PubChem ID:43771
Update Time:2025-04-19

2,10-difluorobenzo(a,i)pyrene Chemical and Physical Properties

Names and Identifiers

    • 2,10-difluorobenzo(a,i)pyrene
    • 2,10-Difluorodibenzo<a,i>pyrene
    • 2,10-Difluorobenzo(rst)pentaphene
    • BRN 2006947
    • DIFLUORODIBENZO(A,I)PYRENE, 2,10-
    • 61735-78-2
    • 4,16-difluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12,14(19),15,17,20(24),21-dodecaene
    • UNII-SEZ1ND62IW
    • DTXSID30210736
    • SEZ1ND62IW
    • BENZO(rst)PENTAPHENE, 2,10-DIFLUORO-
    • 2,10-Difluorodibenzo(a,i)pyrene
    • Inchi: 1S/C24H12F2/c25-17-5-6-19-16(11-17)10-15-2-1-14-9-13-3-4-18(26)12-22(13)21-8-7-20(19)23(15)24(14)21/h1-12H
    • InChI Key: VWZJCJJPDPIZMY-UHFFFAOYSA-N
    • SMILES: FC1C=CC2C=C3C=CC4=CC5C=C(C=CC=5C5=CC=C(C=2C=1)C3=C54)F

Computed Properties

  • Exact Mass: 338.09076
  • Monoisotopic Mass: 338.09070671g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 546
  • 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: 7.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.1166 (rough estimate)
  • Boiling Point: 314.59°C (rough estimate)
  • Refractive Index: 1.5360 (estimate)
  • PSA: 0
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