Cas no 117042-22-5 (Benzonitrile, 4-(nitrosoamino)-)

Benzonitrile, 4-(nitrosoamino)- structure
117042-22-5 structure
Product Name:Benzonitrile, 4-(nitrosoamino)-
CAS No:117042-22-5
MF:C7H5N3O
MW:147.134100675583
CID:1210511
Update Time:2024-08-05

Benzonitrile, 4-(nitrosoamino)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-(nitrosoamino)-
    • Inchi： 1S/C7H5N3O/c8-5-6-1-3-7(4-2-6)9-10-11/h1-4H,(H,9,11)
    • InChI Key： AJUOUDXIRKAZJY-UHFFFAOYSA-N
    • SMILES： C(#N)C1=CC=C(NN=O)C=C1

Computed Properties

  • Exact Mass: 147.04335

Experimental Properties

  • Density: 1.22±0.1 g/cm3(Predicted)
  • Boiling Point: 273.4±42.0 °C(Predicted)
  • PSA: 65.25
  • pka: -5.53±0.50(Predicted)

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