Cas no 216504-01-7 (Benzenesulfonamide, N,N'-1,4-butanediylbis[2-nitro-)

Benzenesulfonamide, N,N'-1,4-butanediylbis[2-nitro- structure
216504-01-7 structure
Product Name:Benzenesulfonamide, N,N'-1,4-butanediylbis[2-nitro-
CAS No:216504-01-7
MF:C16H18N4O8S2
MW:458.466121196747
CID:1408806
Update Time:2024-08-16

Benzenesulfonamide, N,N'-1,4-butanediylbis[2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, N,N'-1,4-butanediylbis[2-nitro-
    • Inchi: 1S/C16H18N4O8S2/c21-19(22)13-7-1-3-9-15(13)29(25,26)17-11-5-6-12-18-30(27,28)16-10-4-2-8-14(16)20(23)24/h1-4,7-10,17-18H,5-6,11-12H2
    • InChI Key: SQCARJJMBMCNKD-UHFFFAOYSA-N
    • SMILES: C(NS(C1=CC=CC=C1[N+]([O-])=O)(=O)=O)CCCNS(C1=CC=CC=C1[N+]([O-])=O)(=O)=O

Computed Properties

  • Exact Mass: 458.05674

Experimental Properties

  • Density: 1.487±0.06 g/cm3(Predicted)
  • Melting Point: 185-186 °C
  • Boiling Point: 688.8±65.0 °C(Predicted)
  • PSA: 178.62
  • pka: 10.24±0.40(Predicted)
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