Basic information
- CAS
50585-42-7- Standard SMILES
Fc1cc2c(cc1F)Oc1cc(Cl)c(Cl)cc1O2- InChIKey
FPZFKQATIBLVHI-UHFFFAOYSA-N- Molecular formula
- C12H4Cl2F2O2
- Average molar mass
- 289.06 g/mol
- Monoisotopic mass
- 287.9556411
Names & identifiers
- Preferred name
- 2,3-Dichloro-7,8-difluorodibenzo-P-dioxin
- IUPAC
- 2,3-dichloro-7,8-difluorodibenzo-p-dioxin
- English name
- 2,3-Dichloro-7,8-difluorodibenzo-p-dioxin
- Molecular formula
- C12H4Cl2F2O2
- Molecular weight
- 289.06
Names & synonyms
2,3-DICHLORO-7,8-DIFLUORODIBENZO-P-DIOXIN50585-42-72,3-dichloro-7,8-difluorooxanthreneDibenzo(b,e)(1,4)dioxin, 2,3-dichloro-7,8-difluoro-DTXSID20872029DB-2602972,3-Dichloro-7,8-difluorodibenzo[b,e][1,4]dioxinDibenzo[b,e][1,4]dioxin, 2,3-dichloro-7,8-difluoro-
Database identifiers
- CAS
50585-42-7- PubChem CID
- 39730
- DTXSID
DTXSID20872029- Nikkaji
- J89.567I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 223 °C · 223 °C
- Boiling point
- 352 · 352.0±42.0 °C(Predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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