Basic information
- CAS
105906-36-3- Standard SMILES
Brc1ccc2c(c1)Oc1ccccc1O2- InChIKey
GSUCEGNAROQSGU-UHFFFAOYSA-N- Molecular formula
- C12H7BrO2
- Average molar mass
- 263.09 g/mol
- Monoisotopic mass
- 261.96294
Names & identifiers
- Preferred name
- 2-Bromooxanthrene
- IUPAC
- 2-bromodibenzo-p-dioxin
- English name
- Monobromodibenzo-para-dioxin
- Molecular formula
- C12H7BrO2
- Molecular weight
- 263.09
Names & synonyms
2-Bromodibenzo[b,e][1,4]dioxine2-Bromooxanthrene105906-36-32-bromodibenzo-p-dioxin2-bromo-dibenzo-dioxinMFCD28968963CHEMBL1394142-BROMODIBENZO-PARA-DIOXIN2-bromoDibenzo[b,e][1,4]dioxinSCHEMBL47076SCHEMBL30434673DTXSID20872100
Show more names
1-bromo-dibenzo-dioxin2-bromodibenzenebenzodialkaneDibenzo[b,e][1,4]dioxin,2-bromo-
GSUCEGNAROQSGU-UHFFFAOYSA-N2-Bromo-Dibenzo[b,e][1,4]dioxinBDBM50408348AKOS025296316AS-92856SY274436DB-127657CS-0376344
Database identifiers
- CAS
105906-36-3- PubChem CID
- 60059
- DTXSID
DTXSID20872100- ChEMBL
CHEMBL139414- Nikkaji
- J509.531J
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
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 329.243 · 329.243±41.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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