Cas no 61359-66-8 (Phenol,4-[(2-hydroxy-3-nitrophenyl)methyl]-2-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-)

Phenol,4-[(2-hydroxy-3-nitrophenyl)methyl]-2-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro- structure
61359-66-8 structure
Product Name:Phenol,4-[(2-hydroxy-3-nitrophenyl)methyl]-2-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-
CAS No:61359-66-8
MF:C20H15N3O9
MW:441.347805261612
CID:482454
Update Time:2024-01-30

Phenol,4-[(2-hydroxy-3-nitrophenyl)methyl]-2-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-[(2-hydroxy-3-nitrophenyl)methyl]-2-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-
    • Phenol, 4-[(2-hydroxy-3-nitrophenyl)methyl]-2-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-
    • Inchi: 1S/C20H15N3O9/c24-18-5-4-11(9-16(18)22(29)30)6-14-8-12(10-17(20(14)26)23(31)32)7-13-2-1-3-15(19(13)25)21(27)28/h1-5,8-10,24-26H,6-7H2
    • InChI Key: ORBUTXQZFYYKLN-UHFFFAOYSA-N
    • SMILES: C1(O)=C([N+]([O-])=O)C=C(CC2=CC=CC([N+]([O-])=O)=C2O)C=C1CC1=CC=C(O)C([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 441.08085

Experimental Properties

  • Density: 1.581±0.06 g/cm3(Predicted)
  • Boiling Point: 643.3±50.0 °C(Predicted)
  • PSA: 190.11
  • pka: 6.93±0.10(Predicted)
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