Cas no 131245-13-1 (Phenol, 3-nitro-4-[3-(2-nitrophenoxy)propoxy]-)

Phenol, 3-nitro-4-[3-(2-nitrophenoxy)propoxy]- structure
131245-13-1 structure
Product Name:Phenol, 3-nitro-4-[3-(2-nitrophenoxy)propoxy]-
CAS No:131245-13-1
MF:C15H14N2O7
MW:334.280864238739
CID:1227738
Update Time:2024-08-03

Phenol, 3-nitro-4-[3-(2-nitrophenoxy)propoxy]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 3-nitro-4-[3-(2-nitrophenoxy)propoxy]-
    • Inchi： 1S/C15H14N2O7/c18-11-6-7-15(13(10-11)17(21)22)24-9-3-8-23-14-5-2-1-4-12(14)16(19)20/h1-2,4-7,10,18H,3,8-9H2
    • InChI Key： VRDFLEOAECWHAB-UHFFFAOYSA-N
    • SMILES： C1(O)=CC=C(OCCCOC2=CC=CC=C2[N+]([O-])=O)C([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 334.08012

Experimental Properties

  • Density: 1.410±0.06 g/cm3(Predicted)
  • Melting Point: 129-131 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 561.1±45.0 °C(Predicted)
  • PSA: 124.97
  • pka: 8?+-.0.10(Predicted)

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