Basic information
- CAS
7497-08-7- Standard SMILES
O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
XXTXONAHTURMCQ-UHFFFAOYSA-N- Molecular formula
- C13Cl10O3
- Average molar mass
- 558.7 g/mol
- Monoisotopic mass
- 553.673271
Names & identifiers
- Preferred name
- Decachlorodiphenyl carbonate
- IUPAC
- bis(2,3,4,5,6-pentachlorophenyl) carbonate
- English name
- Carbonic acid bis(2,3,4,5,6-pentachlorophenyl) ester
- Molecular formula
- C13Cl10O3
- Molecular weight
- 558.67
Names & synonyms
Decachlorodiphenyl carbonatebis(pentachlorophenyl) carbonatebis(2,3,4,5,6-pentachlorophenyl) carbonate9JM7N7CJ3DPentachlorophenol carbonate (2:1)NSC-405022DTXSID50996469Phenol, 2,3,4,5,6-pentachloro-, 1,1'-carbonateNSC 405022Phenol, pentachloro-, carbonate (2:1)AI3-14996CARBONIC ACID, BIS(PENTACHLOROPHENYL) ESTER
Show more names
Carbonic acid bis(2,3,4,5,6-pentachlorophenyl) ester
RefChem:200377DTXCID0014234857497-08-7UNII-9JM7N7CJ3DSCHEMBL5070405XXTXONAHTURMCQ-UHFFFAOYSA-NNSC405022
Database identifiers
- CAS
7497-08-7- PubChem CID
- 82006
- DTXSID
DTXSID50996469- UNII
- 9JM7N7CJ3D
- Nikkaji
- J421.863I
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 263 · 263-266 °C
- Boiling point
- 575.9 · 575.9±50.0 °C(Predicted)
- Density
- 1.871 · 1.871±0.06 g/cm3(Predicted)
- FDA UNII
- 9 JM7N7CJ3D · 9JM7N7CJ3D
- EPA Substance Registry System
- Pentachlorophenol carbonate (2:1) (7497-08-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,3,4,5,6-pentachloro-, 1,1'-carbonate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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