Cas no 131245-15-3 (Phenol, 3-nitro-4-[2-(3-nitrophenoxy)ethoxy]-)

Phenol, 3-nitro-4-[2-(3-nitrophenoxy)ethoxy]- structure
131245-15-3 structure
Product Name:Phenol, 3-nitro-4-[2-(3-nitrophenoxy)ethoxy]-
CAS No:131245-15-3
MF:C14H12N2O7
MW:320.254283905029
CID:1232057
Update Time:2024-08-05

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

Names and Identifiers

    • Phenol, 3-nitro-4-[2-(3-nitrophenoxy)ethoxy]-
    • Inchi: 1S/C14H12N2O7/c17-11-4-5-14(13(9-11)16(20)21)23-7-6-22-12-3-1-2-10(8-12)15(18)19/h1-5,8-9,17H,6-7H2
    • InChI Key: JVRPGFVQMAOKER-UHFFFAOYSA-N
    • SMILES: C1(O)=CC=C(OCCOC2=CC=CC([N+]([O-])=O)=C2)C([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 320.06446

Experimental Properties

  • Density: 1.452±0.06 g/cm3(Predicted)
  • Melting Point: 129-132 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 560.3±50.0 °C(Predicted)
  • PSA: 124.97
  • pka: 8.55±0.10(Predicted)
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