1,2,3,7,8-Pentabromodibenzo-P-dioxin

Base Information

• Chemical Name: 1,2,3,7,8-Pentabromodibenzo-P-dioxin
• CAS No.: 109333-34-8
• Molecular Formula: C12H3 Br5 O2
• Molecular Weight: 578.67
• DSSTox Substance ID: DTXSID6073784
• Nikkaji Number: J509.529H
• Wikidata: Q82002329
• Pharos Ligand ID: 39N33W5NTFC2
• ChEMBL ID: CHEMBL137665
• Mol file: 109333-34-8.mol

Synonyms:1,2,3,7,8-PENTABROMODIBENZO-P-DIOXIN;109333-34-8;CHEMBL137665;1,2,3,7,8-PeBDD;1,2,3,7,8-pentabromo-dibenzo-p-dioxin;Dibenzo(b,e)(1,4)dioxin, 1,2,3,7,8-pentabromo-;Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8-pentabromo-;DTXSID6073784;BDBM50408303;1,2,3,7,8-Pentabromo-dibenzo[1,4]dioxine

Chemical Property of 1,2,3,7,8-Pentabromodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 6.39E-10mmHg at 25°C
• Boiling Point: 507.5°Cat760mmHg
• Flash Point: 212.6°C
• PSA: 18.46000
• Density: 2.526g/cm³
• LogP: 7.39710
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 577.60089
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

99%min ^*data from raw suppliers

1,2,3,7,8-Pentabromodibenzo-p-dioxin ^*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=C(C(=C(C=C3O2)Br)Br)Br
• Uses: 1,2,3,7,8-Pentabromodibenzo-p-dioxin is a standarad for environmental testing and research. Substance for multi-persistant organic pollutant analysis in the breast milk of first time mothers in ireland.