Cas no 23217-69-8 (Isoxazole, 5,5'-(1,4-phenylene)bis-)

Isoxazole, 5,5'-(1,4-phenylene)bis- structure
23217-69-8 structure
Product Name:Isoxazole, 5,5'-(1,4-phenylene)bis-
CAS No:23217-69-8
MF:C12H8N2O2
MW:212.204122543335
CID:1416132
Update Time:2024-08-16

Isoxazole, 5,5'-(1,4-phenylene)bis- Chemical and Physical Properties

Names and Identifiers

    • Isoxazole, 5,5'-(1,4-phenylene)bis-
    • Inchi： 1S/C12H8N2O2/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-8H
    • InChI Key： NGFCVMZSEWJPQI-UHFFFAOYSA-N
    • SMILES： C1(C2ON=CC=2)=CC=C(C2ON=CC=2)C=C1

Computed Properties

  • Exact Mass: 212.05864

Experimental Properties

  • Density: 1.233±0.06 g/cm3(Predicted)
  • Melting Point: 215-216 °C
  • Boiling Point: 458.7±25.0 °C(Predicted)
  • PSA: 52.06
  • pka: -2.95±0.10(Predicted)

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