Basic information
- CAS
103456-34-4- Standard SMILES
Brc1cccc2c1Oc1ccccc1O2- InChIKey
HEAUGIUDKRRLPJ-UHFFFAOYSA-N- Molecular formula
- C12H7BrO2
- Average molar mass
- 263.09 g/mol
- Monoisotopic mass
- 261.96294
Names & identifiers
- Preferred name
- 1-Bromodibenzo-p-dioxin
- IUPAC
- 1-bromodibenzo-p-dioxin
- English name
- MONOBROMODIBENZO-PARA-DIOXIN
- Molecular formula
- C12H7BrO2
- Molecular weight
- 263.09
Names & synonyms
1-bromodibenzo-p-dioxin105908-71-21-Bromooxanthrene1-bromo-dibenzo-dioxin1-MONOBROMODIBENZO-P-DIOXIN103456-34-41-Bromodibenzo[b,e][1,4]dioxineMONOBROMODIBENZOFURAN1-Bromo-dibenzo[1,4]dioxinemonobromo-dibenzo-p-dioxinSCHEMBL4592669DTXSID80872101
Show more names
1-BROMODIBENZO-PARA-DIOXINMONOBROMODIBENZO-PARA-DIOXIN1-Bromodibenzo[b,e][1,4]dioxin1-MONOBROMODIBENZO-PARA-DIOXIN
HEAUGIUDKRRLPJ-UHFFFAOYSA-NDibenzo[b,e][1,4]dioxin,1-bromo-
Database identifiers
- CAS
103456-34-4、105908-71-2- PubChem CID
- 60060
- DTXSID
DTXSID80872101- Nikkaji
- J373.774H
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
- 15
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Collision Cross Section141.4 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Physicochemical properties
- Melting point
- 104 °C · 104 °C
- Boiling point
- 331.5 · 331.5±41.0 °C(Predicted)
- Density
- 1.6 · 1.600±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses1-Bromodibenzo-p-dioxin is used in analytical method for the detection of PBDD/DF in environmental samples, and also functions as a standard for environmental testing and research.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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