Cas no 61359-67-9 (Phenol,2-[(2-hydroxy-3-nitrophenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-)

Phenol,2-[(2-hydroxy-3-nitrophenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro- structure
61359-67-9 structure
Product Name:Phenol,2-[(2-hydroxy-3-nitrophenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-
CAS No:61359-67-9
MF:C20H15N3O9
MW:441.347805261612
CID:482453
Update Time:2024-01-30

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

Names and Identifiers

    • Phenol,2-[(2-hydroxy-3-nitrophenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-
    • Phenol, 2-[(2-hydroxy-3-nitrophenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)methyl]-6-nitro-
    • Inchi: 1S/C20H15N3O9/c24-18-5-4-11(8-16(18)22(29)30)6-12-7-14(20(26)17(9-12)23(31)32)10-13-2-1-3-15(19(13)25)21(27)28/h1-5,7-9,24-26H,6,10H2
    • InChI Key: ZODZYCAPQQJNIT-UHFFFAOYSA-N
    • SMILES: C1(O)=C([N+]([O-])=O)C=C(CC2=CC=C(O)C([N+]([O-])=O)=C2)C=C1CC1=CC=CC([N+]([O-])=O)=C1O

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: 6.92±0.10(Predicted)
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