Cas no 131245-27-7 (Phenol, 3,5-dinitro-4-[3-(4-nitrophenoxy)propoxy]-)

Phenol, 3,5-dinitro-4-[3-(4-nitrophenoxy)propoxy]- structure
131245-27-7 structure
Product Name:Phenol, 3,5-dinitro-4-[3-(4-nitrophenoxy)propoxy]-
CAS No:131245-27-7
MF:C15H13N3O9
MW:379.278424024582
CID:1227637
Update Time:2024-08-03

Phenol, 3,5-dinitro-4-[3-(4-nitrophenoxy)propoxy]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 3,5-dinitro-4-[3-(4-nitrophenoxy)propoxy]-
    • Inchi： 1S/C15H13N3O9/c19-11-8-13(17(22)23)15(14(9-11)18(24)25)27-7-1-6-26-12-4-2-10(3-5-12)16(20)21/h2-5,8-9,19H,1,6-7H2
    • InChI Key： NBDXRKSHCXUNDZ-UHFFFAOYSA-N
    • SMILES： C1(O)=CC([N+]([O-])=O)=C(OCCCOC2=CC=C([N+]([O-])=O)C=C2)C([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 379.06519

Experimental Properties

  • Density: 1.524±0.06 g/cm3(Predicted)
  • Melting Point: 138-140 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 623.0±55.0 °C(Predicted)
  • PSA: 168.11
  • pka: 7.00±0.10(Predicted)

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