Basic information
- CAS
7497-11-2- Standard SMILES
O=C(Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(Cl)cc(Cl)cc1Cl- InChIKey
JOJNCSKBTSMKKW-UHFFFAOYSA-N- Molecular formula
- C13H4Cl6O3
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 417.82916
Names & identifiers
- Preferred name
- Bis(2,4,6-trichlorophenyl) carbonate
- IUPAC
- bis(2,4,6-trichlorophenyl) carbonate
- English name
- Carbonic acid bis(2,4,6-trichlorophenyl) ester
- Molecular formula
- C13H4Cl6O3
- Molecular weight
- 420.89
Names & synonyms
Bis(2,4,6-trichlorophenyl) carbonate7497-11-2NSC405025SCHEMBL120089DTXSID90225927JOJNCSKBTSMKKW-UHFFFAOYSA-NEINECS 231-349-9bis(2,4,6-trichlorophenyl)carbonateNSC 405025NSC-4050257497-02-1NS00047585
Show more names
Carbonic acid bis(2,4,6-trichlorophenyl) esterPhenol, 2,4,6-trichloro-, carbonate (2:1) (9CI)
Database identifiers
- CAS
7497-11-2- PubChem CID
- 82007
- DTXSID
DTXSID90225927- EC Number
- 231-349-9
- Nikkaji
- J307.843D
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 475.3 · 475.3±45.0 °C(Predicted)
- Density
- 1.679 · 1.679±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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