Cas no 145291-96-9 (1,3-Propanedione, 1-(2-iodophenyl)-3-(4-methylphenyl)-)

1,3-Propanedione, 1-(2-iodophenyl)-3-(4-methylphenyl)- structure
145291-96-9 structure
Product Name:1,3-Propanedione, 1-(2-iodophenyl)-3-(4-methylphenyl)-
CAS No:145291-96-9
MF:C16H13IO2
MW:364.177696943283
CID:1315301
Update Time:2024-08-18

1,3-Propanedione, 1-(2-iodophenyl)-3-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanedione, 1-(2-iodophenyl)-3-(4-methylphenyl)-
    • Inchi: 1S/C16H13IO2/c1-11-6-8-12(9-7-11)15(18)10-16(19)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
    • InChI Key: JUYISGWZJJJFRD-UHFFFAOYSA-N
    • SMILES: C(C1=CC=CC=C1I)(=O)CC(C1=CC=C(C)C=C1)=O

Computed Properties

  • Exact Mass: 363.99559

Experimental Properties

  • Density: 1.548±0.06 g/cm3(Predicted)
  • Boiling Point: 473.3±35.0 °C(Predicted)
  • PSA: 34.14
  • pka: 9.17±0.35(Predicted)
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