Cas no 5397-81-9 (1-[dibromo-(4-nitrophenyl)methyl]-4-nitrobenzene)

1-[dibromo-(4-nitrophenyl)methyl]-4-nitrobenzene structure
5397-81-9 structure
Product Name:1-[dibromo-(4-nitrophenyl)methyl]-4-nitrobenzene
CAS No:5397-81-9
MF:C13H8Br2N2O4
MW:416.021621704102
CID:1586351
PubChem ID:220842
Update Time:2025-04-21

1-[dibromo-(4-nitrophenyl)methyl]-4-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-[dibromo-(4-nitrophenyl)methyl]-4-nitrobenzene
    • NSC4269
    • AC1Q1Z4X
    • AC1L59EQ
    • CTK4J9177
    • KST-1B6197
    • 1,1'-(dibromomethanediyl)bis(4-nitrobenzene)
    • Dibrom-bis-(4-nitro-phenyl)-methan
    • AR-1B3548
    • Bis-&lt
    • 4-nitro-phenyl&gt
    • -dibrommethan
    • dibromo-bis-(4-nitro-phenyl)-methane
    • NSC4269; AC1Q1Z4X; AC1L59EQ; CTK4J9177; KST-1B6197; 1,1'-(dibromomethanediyl)bis(4-nitrobenzene); Dibrom-bis-(4-nitro-phenyl)-methan; AR-1B3548; Bis-< 4-nitro-phenyl> -dibrommethan; dibromo-bis-(4-nitro-phenyl)-methane;
    • NSC-4269
    • DTXSID10277802
    • 5397-81-9
    • Inchi: 1S/C13H8Br2N2O4/c14-13(15,9-1-5-11(6-2-9)16(18)19)10-3-7-12(8-4-10)17(20)21/h1-8H
    • InChI Key: AMFZEKAEZCXBNB-UHFFFAOYSA-N
    • SMILES: BrC(C1C=CC(=CC=1)[N+](=O)[O-])(C1C=CC(=CC=1)[N+](=O)[O-])Br

Computed Properties

  • Exact Mass: 413.88504
  • Monoisotopic Mass: 413.885082
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 356
  • 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
  • Topological Polar Surface Area: 91.6
  • XLogP3: 4.5

Experimental Properties

  • Density: 1.893
  • Boiling Point: 496.3°C at 760 mmHg
  • Flash Point: 254°C
  • Refractive Index: 1.686
  • PSA: 86.28
  • LogP: 5.54030
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