Cas no 79755-43-4 (Phenol,3,5-dibromo-2-(2,4-dibromophenoxy)-)

Phenol,3,5-dibromo-2-(2,4-dibromophenoxy)- structure
79755-43-4 structure
Product Name:Phenol,3,5-dibromo-2-(2,4-dibromophenoxy)-
CAS No:79755-43-4
MF:C12H6Br4O2
MW:501.790840625763
CID:566833
PubChem ID:3086109
Update Time:2025-04-19

Phenol,3,5-dibromo-2-(2,4-dibromophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Phenol,3,5-dibromo-2-(2,4-dibromophenoxy)-
    • 3,5-dibromo-2-(2,4-dibromophenoxy)phenol
    • 2-(2',4'-dibromophenoxy)-3,5-dibromophenol
    • 3,5-dibromo-2-(2',4'-dibromophenoxy)phenol
    • 3,5-dibromo-2-(2,4-dichlorophenoxy)phenol
    • 6-Hydroxy-2,2',4,4'-tetrabromodiphenyl ether
    • 6-OH-BDE-47
    • BPE-5
    • Phenol,3,5-dibromo-2-(2,4-dibromophenoxy)
    • DTXSID60229856
    • CHEMBL258224
    • 3,5-dibromo-2-(2'',4''-dibromophenoxy)phenol
    • 79755-43-4
    • PD181120
    • SR-1-1
    • 6-Hydroxy-2,2,4,4-tetrabromodiphenyl ether
    • BDBM50232491
    • 6-hydroxy-2,2',4,4'-tetrabromodiphenylether
    • Phenol, 3,5-dibromo-2-(2,4-dibromophenoxy)-
    • NS00074046
    • 6-HO-BDE-47
    • Inchi: 1S/C12H6Br4O2/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5,17H
    • InChI Key: SNCQITRZEBFIRW-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC(=C1OC1C=CC(=CC=1Br)Br)O)Br

Computed Properties

  • Exact Mass: 497.71000
  • Monoisotopic Mass: 497.71
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 279
  • 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: 5.9
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 2.248
  • Boiling Point: 405.9°C at 760 mmHg
  • Flash Point: 199.3°C
  • Refractive Index: 1.69
  • PSA: 29.46000
  • LogP: 6.23450
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