Basic information
- CAS
80246-33-9- Standard SMILES
Brc1ccc2c(c1)Oc1c(Br)cc(Br)cc1O2- InChIKey
NLKFBKPFQWQPPL-UHFFFAOYSA-N- Molecular formula
- C12H5Br3O2
- Average molar mass
- 420.88 g/mol
- Monoisotopic mass
- 417.7839657
Names & identifiers
- Preferred name
- 1,3,8-Tribromodibenzo-P-dioxin
- IUPAC
- 1,3,8-tribromodibenzo-p-dioxin
- English name
- 1,3,8-TRIBROMODIBENZO-P-DIOXIN
- Molecular formula
- C12H5Br3O2
- Molecular weight
- 420.88
Names & synonyms
1,3,8-TRIBROMODIBENZO-P-DIOXIN80246-33-91,3,8-tribromo-dibenzo-dioxin1,3,8-tribromooxanthrene2,4,7-tribromodibenzo-p-dioxinDTXSID40230182NLKFBKPFQWQPPL-UHFFFAOYSA-NDibenzo[b,e][1,4]dioxin, 1,3,8-tribromo-
Database identifiers
- CAS
80246-33-9- PubChem CID
- 54549
- DTXSID
DTXSID40230182- Nikkaji
- J1.591.727J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 419.1 · 419.1±45.0 °C(Predicted)
- Density
- 2.139 · 2.139±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
AccuStandard Inc[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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