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Basic information
- CAS
67733-57-7- Standard SMILES
Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br- InChIKey
HCSRVQXNLHZQNM-UHFFFAOYSA-N- Molecular formula
- C12H4Br4O
- Average molar mass
- 483.77 g/mol
- Monoisotopic mass
- 479.69957
Names & identifiers
- Preferred name
- 2,3,7,8-Tetrabromodibenzofuran
- IUPAC
- 2,3,7,8-tetrabromodibenzofuran
- English name
- 2,3,7,8-Tetrabromodibenzofuran
- Molecular formula
- C12H4Br4O
- Molecular weight
- 483.78
Names & synonyms
2,3,7,8-TETRABROMODIBENZOFURAN67733-57-7Dibenzofuran, 2,3,7,8-tetrabromo-BRN 0221403XM0PVY4W34UNII-XM0PVY4W34DTXSID60736054-17-00-00590 (Beilstein Handbook Reference)4,5,11,12-tetrabromo-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene4,5,11,12-tetrabromo-8-oxatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene2,3,7,8-TBDFRefChem:81462
Show more names
2,3,7,8-TeBDF
DTXCID0044995HCSRVQXNLHZQNM-UHFFFAOYSA-N2,3,7,8-tetrabromodibenzo[b,d]furanDB-313018NS00009493
Database identifiers
- CAS
67733-57-7- PubChem CID
- 49973
- DTXSID
DTXSID6073605- UNII
- XM0PVY4W34
- Nikkaji
- J398.996H
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 495.9 · 495.9±40.0 °C(Predicted)
- Density
- 2.3233 · 2.3233 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- FDA UNII
- 0 PVY4W34 · XM0PVY4W34
- EPA Substance Registry System
- 2 · 2,3,7,8-Tetrabromodibenzofuran (67733-57-7)
Chemistry & industry
Applications
Uses2,3,7,8-Tetrabromodibenzofuran is a standard for environmental testing and research. Performs inhibitory effect on combustion chemistry as flame retardants. Substance for the determination of relative potency estimates for PAHs, PBDD/Fs and PXDDs via CALUX assay. Dioxin screening in environmental samples using the Ah-Immunoassay.
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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