Cas no 59080-34-1 (PBB 18)

PBB 18 structure
PBB 18 structure
Product Name:PBB 18
CAS No:59080-34-1
MF:C12H7Br3
MW:390.89598107338
CID:377330
PubChem ID:554868
Update Time:2025-04-19

PBB 18 Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl,2,2',5-tribromo-
    • 1,4-dibromo-2-(2-bromophenyl)benzene
    • 2,2',5,5'-TETRABROMOBIPHENYL
    • 2,2',5-Tribromobiphenyl
    • 2,2,5-Tribromobiphenyl50μg
    • UNII-4X971169NL
    • PBB No. 18
    • PBB 018
    • IYDNWMCMGNRWET-UHFFFAOYSA-N
    • InChI=1/C12H7Br3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7
    • 1,1'-Biphenyl, 2,2',5-tribromo-
    • 2,2,5-TRIBROMOBIPHENYL
    • 59080-34-1
    • 4X971169NL
    • DTXSID5074765
    • Q27260634
    • PBB-No. 18 10 microg/mL in Isooctane
    • NS00114375
    • PBB 18
    • 2,2',5-Tribromo-1,1'-biphenyl #
    • Inchi: 1S/C12H7Br3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
    • InChI Key: IYDNWMCMGNRWET-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1C1C=CC=CC=1Br)Br

Computed Properties

  • Exact Mass: 387.81000
  • Monoisotopic Mass: 387.809788
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 207
  • 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: 5.8
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 1.923 g/c3
  • Boiling Point: 365.8 °C at 760 mmHg
  • Flash Point: 170.3 °C
  • Refractive Index: 1.647
  • PSA: 0.00000
  • LogP: 5.64110

PBB 18 Pricemore >>

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