Cas no 1098-16-4 (Benzene, 2,4-dinitro-1-[(4-nitrophenyl)sulfonyl]-)

Benzene, 2,4-dinitro-1-[(4-nitrophenyl)sulfonyl]- structure
1098-16-4 structure
Product Name:Benzene, 2,4-dinitro-1-[(4-nitrophenyl)sulfonyl]-
CAS No:1098-16-4
MF:C12H7N3O8S
MW:353.264281511307
CID:1194288
Update Time:2024-08-05

Benzene, 2,4-dinitro-1-[(4-nitrophenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2,4-dinitro-1-[(4-nitrophenyl)sulfonyl]-
    • (2,4-dinitro-phenyl)-(4-nitro-phenyl)-sulfone
    • Inchi: 1S/C12H7N3O8S/c16-13(17)8-1-4-10(5-2-8)24(22,23)12-6-3-9(14(18)19)7-11(12)15(20)21/h1-7H
    • InChI Key: NDYLISSAVOGESH-UHFFFAOYSA-N
    • SMILES: C1(S(C2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 352.99541

Experimental Properties

  • Density: 1.656±0.06 g/cm3(Predicted)
  • Melting Point: 232 °C
  • Boiling Point: 596.3±50.0 °C(Predicted)
  • PSA: 163.56
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