Cas no 170378-69-5 (2,1-Benzisoxazole, 5,5'-(1,4-phenylene)bis[3-phenyl-)

2,1-Benzisoxazole, 5,5'-(1,4-phenylene)bis[3-phenyl- structure
170378-69-5 structure
Product Name:2,1-Benzisoxazole, 5,5'-(1,4-phenylene)bis[3-phenyl-
CAS No:170378-69-5
MF:C32H20N2O2
MW:464.513407707214
CID:1356881
Update Time:2024-08-17

2,1-Benzisoxazole, 5,5'-(1,4-phenylene)bis[3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 2,1-Benzisoxazole, 5,5'-(1,4-phenylene)bis[3-phenyl-
    • Inchi: 1S/C32H20N2O2/c1-3-7-23(8-4-1)31-27-19-25(15-17-29(27)33-35-31)21-11-13-22(14-12-21)26-16-18-30-28(20-26)32(36-34-30)24-9-5-2-6-10-24/h1-20H
    • InChI Key: SQLHXWMHVMQRCO-UHFFFAOYSA-N
    • SMILES: C1(C2C=CC3C(C=2)=C(C2=CC=CC=C2)ON=3)=CC=C(C2C=CC3C(C=2)=C(C2=CC=CC=C2)ON=3)C=C1

Computed Properties

  • Exact Mass: 464.1526

Experimental Properties

  • Density: 1.252±0.06 g/cm3(Predicted)
  • Boiling Point: 746.5±55.0 °C(Predicted)
  • PSA: 52.06
  • pka: -2.34±0.30(Predicted)
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