Cas no 97245-28-8 (Butanetetrone,bis(4-fluorophenyl)- (9CI))

Butanetetrone,bis(4-fluorophenyl)- (9CI) structure
97245-28-8 structure
Product Name:Butanetetrone,bis(4-fluorophenyl)- (9CI)
CAS No:97245-28-8
MF:C16H8F2O4
MW:302.229131698608
CID:816699
PubChem ID:145302
Update Time:2025-04-19

Butanetetrone,bis(4-fluorophenyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanetetrone,bis(4-fluorophenyl)- (9CI)
    • 1,4-bis(4-fluorophenyl)butane-1,2,3,4-tetrone
    • 97245-28-8
    • DTXSID10242818
    • 1,4-Di-(p-fluorophenyl)butane-1,2,3,4-tetraone
    • Inchi: 1S/C16H8F2O4/c17-11-5-1-9(2-6-11)13(19)15(21)16(22)14(20)10-3-7-12(18)8-4-10/h1-8H
    • InChI Key: FFENFHFNIVZLKJ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C(C(C(C(C1C=CC(=CC=1)F)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 302.039
  • Monoisotopic Mass: 302.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 429
  • 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: 2.9
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • Density: 1.398
  • Boiling Point: 456.8°Cat760mmHg
  • Flash Point: 172.3°C
  • Refractive Index: 1.566
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