Cas no 196809-91-3 (1,3-Butanedione, 1-(3-iodophenyl)-)

1,3-Butanedione, 1-(3-iodophenyl)- structure
196809-91-3 structure
Product Name:1,3-Butanedione, 1-(3-iodophenyl)-
CAS No:196809-91-3
MF:C10H9IO2
MW:288.081735372543
CID:1388449
Update Time:2024-08-16

1,3-Butanedione, 1-(3-iodophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanedione, 1-(3-iodophenyl)-
    • 1-(3-Iodophenyl)-1,3-butanedione
    • Inchi: 1S/C10H9IO2/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3
    • InChI Key: CZQOKCRFTKTJKQ-UHFFFAOYSA-N
    • SMILES: C(C1=CC=CC(I)=C1)(=O)CC(=O)C

Computed Properties

  • Exact Mass: 287.96427

Experimental Properties

  • Density: 1.663±0.06 g/cm3(Predicted)
  • Boiling Point: 353.3±22.0 °C(Predicted)
  • PSA: 34.14
  • pka: 8.20±0.10(Predicted)
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