2,3,7-Tribromodibenzo-p-dioxin

Base Information

• Chemical Name: 2,3,7-Tribromodibenzo-p-dioxin
• CAS No.: 51974-40-4
• Molecular Formula: C12H5 Br3 O2
• Molecular Weight: 420.88
• DSSTox Substance ID: DTXSID50904160
• Nikkaji Number: J373.775F
• Wikidata: Q81988133
• Pharos Ligand ID: GA3FGSANPMDD
• ChEMBL ID: CHEMBL136453
• Mol file: 51974-40-4.mol

Synonyms:2,3,7-TBDD;2,3,7-tribromobenzo-4-dioxin;2,3,7-tribromobenzo-p-dioxin

Chemical Property of 2,3,7-Tribromodibenzo-p-dioxin

Chemical Property:

• Vapor Pressure: 5.53E-07mmHg at 25°C
• Boiling Point: 423.4°Cat760mmHg
• Flash Point: 175.2°C
• Density: 2.139g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 419.78192
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

2,3,7-Tribromodibenzo-p-dioxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)OC3=CC(=C(C=C3O2)Br)Br
• Uses: 2,3,7-Tribromodibenzo-p-dioxin is a standard for environmental testing and research. Also used in multi-persistent organic pollutants analysis in breast milk of first time mothers in Ireland. In silico potential of endocrine disruptors to target breast cancer proteins using virtual high-throughput screening.

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