1,2,3,7,8-Pentabromodibenzofuran

Base Information

• Chemical Name: 1,2,3,7,8-Pentabromodibenzofuran
• CAS No.: 107555-93-1
• Molecular Formula: C12H3 Br5 O
• Molecular Weight: 562.70
• UNII: 25VK3J89H6
• DSSTox Substance ID: DTXSID60869478
• Nikkaji Number: J398.997F
• Wikidata: Q81986566
• Mol file: 107555-93-1.mol

Synonyms:1,2,3,7,8-Pentabromodibenzofuran;107555-93-1;Dibenzofuran,1,2,3,7,8-pentabromo-;Dibenzofuran, 1,2,3,7,8-pentabromo-;1,2,3,7,8-PeBDF;25VK3J89H6;1,2,3,7,8-pentabromo-dibenzofuran;Dibenzofuran, 1,2,3,7,8-pentabromo;C12H3Br5O;UNII-25VK3J89H6;DTXSID60869478;1,2,3,7,8-pentabromodibenzo[b,d]furan;LS-61100

Chemical Property of 1,2,3,7,8-Pentabromodibenzofuran

Chemical Property:

• Vapor Pressure: 4.4E-11mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 537.5°Cat760mmHg
• Flash Point: 278.9°C
• PSA: 13.14000
• Density: 2.541g/cm³
• LogP: 7.39850
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 561.60598
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,7,8-Pentabromodibenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Br)Br)OC3=CC(=C(C(=C23)Br)Br)Br
• Uses: 1,2,3,7,8-Pentabromodibenzofuran is a standard for environmental testing and research. Substance for the analytical method for the detection of PBDD/DF in environmental samples.