Cas no 131245-23-3 (Phenol, 3,5-dinitro-4-[2-(3-nitrophenoxy)ethoxy]-)

Phenol, 3,5-dinitro-4-[2-(3-nitrophenoxy)ethoxy]- structure
131245-23-3 structure
Product Name:Phenol, 3,5-dinitro-4-[2-(3-nitrophenoxy)ethoxy]-
CAS No:131245-23-3
MF:C14H11N3O9
MW:365.251843690872
CID:1227635
Update Time:2024-08-03

Phenol, 3,5-dinitro-4-[2-(3-nitrophenoxy)ethoxy]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 3,5-dinitro-4-[2-(3-nitrophenoxy)ethoxy]-
    • Inchi: 1S/C14H11N3O9/c18-10-7-12(16(21)22)14(13(8-10)17(23)24)26-5-4-25-11-3-1-2-9(6-11)15(19)20/h1-3,6-8,18H,4-5H2
    • InChI Key: LXRNLKGSUFMNAI-UHFFFAOYSA-N
    • SMILES: C1(O)=CC([N+]([O-])=O)=C(OCCOC2=CC=CC([N+]([O-])=O)=C2)C([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 365.04953

Experimental Properties

  • Density: 1.572±0.06 g/cm3(Predicted)
  • Melting Point: 190-193 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 633.2±55.0 °C(Predicted)
  • PSA: 168.11
  • pka: 6.93±0.10(Predicted)
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