4,6-Dibromodibenzofuran
Basic information
- CAS
201138-91-2- Standard SMILES
Brc1cccc2c1oc1c(Br)cccc12- InChIKey
XSJLDNSNUICSQC-UHFFFAOYSA-N- Molecular formula
- C12H6Br2O
- Average molar mass
- 325.98 g/mol
- Monoisotopic mass
- 323.87854
Names & identifiers
- Preferred name
- 4,6-Dibromodibenzofuran
- IUPAC
- 4,6-dibromodibenzofuran
- English name
- 4,6-Dibromodibenzofuran
- Molecular formula
- C12H6Br2O
- Molecular weight
- 325.98
Names & synonyms
4,6-dibromodibenzofuran201138-91-2DTXSID60335683RefChem:1069487DTXCID102867724,6-Dibromodibenzo[b,d]furanDibenzofuran, 4,6-dibromo-4,6-dibromo-dibenzofuranMFCD00185686SCHEMBL12093432SY056232CS-0135838
Show more names
4,6-Dibromobenzofuran4,6-DibroMo-dibenzofurane4,6-Dibromodibenzofuran>Dibenzofuran, 4,6-dibromo-Dicarbonylacetylacetonatorhodium(1)
C738104,6-Dibromodibenzo[b,d]furan;Dibenzofuran, 4,6-dibromo-4,6-Dibro46-Dibromodibenzo[bd]furanDibenzofuran, 4,6-ibromo-A847739SCHEMBL29450783AKOS022171675
Database identifiers
- CAS
201138-91-2- PubChem CID
- 526362
- DTXSID
DTXSID60335683- Nikkaji
- J1.984.011E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 147 to · 147.0 to 151.0 °C
- Boiling point
- 396 · 396.0±22.0 °C(Predicted)
- Density
- 1.886 · 1.886±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C12H6Br2O/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
- InChIKey
- XSJLDNSNUICSQC-UHFFFAOYSA-N
- SMILES
- O1C2=C(Br)C=CC=C2C2=CC=CC(Br)=C12
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H413
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H413
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses4,6-Dibromodibenzofuran can be prepared by reacting bromine with dibenzofuran. It can be used in the field of photoelectric synthesis, such as to prepare compound P-98, which can reduce the driving voltage of the device and improve the luminous efficiency, color purity and lifetime of the device.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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