Cas no 17589-66-1 (1-(4-bromophenoxy)-2,4-dinitrobenzene)

1-(4-bromophenoxy)-2,4-dinitrobenzene structure
17589-66-1 structure
Product Name:1-(4-bromophenoxy)-2,4-dinitrobenzene
CAS No:17589-66-1
MF:C12H7BrN2O5
MW:339.098382234573
CID:1362274
PubChem ID:221811
Update Time:2025-04-20

1-(4-bromophenoxy)-2,4-dinitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-(4-bromophenoxy)-2,4-dinitrobenzene
    • 1-(4-Bromo-phenoxy)-2,4-dinitro-benzene
    • UNII-Q4E7ICP457
    • Q27894261
    • NSC6882
    • 4-(4-BROMOPHENOXY)-2,4-DINITROBENZENE
    • NSC 6882
    • NSC-6882
    • AKOS000727861
    • 17589-66-1
    • Q4E7ICP457
    • 4-bromo-2',4'-dinitrodiphenyl ether
    • DTXSID0022270
    • 1-[(4-bromophenyl)oxy]-2,4-dinitrobenzene
    • Benzene, 1-(4-bromophenoxy)-2,4-dinitro-
    • Inchi： 1S/C12H7BrN2O5/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
    • InChI Key： BJGBENCKKXEWGB-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=CC=1)OC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 337.95381
  • Monoisotopic Mass: 337.954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.696
  • Boiling Point: 403.9°C at 760 mmHg
  • Flash Point: 198.1°C
  • Refractive Index: 1.656
  • PSA: 95.51

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