Basic information
- CAS
31710-30-2- Standard SMILES
Clc1c(Cl)c(Cl)c(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
CIPFDHFTBYJKQB-UHFFFAOYSA-N- Molecular formula
- C12Cl10O
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 509.683442
Names & identifiers
- Preferred name
- Decachlorodiphenyl ether
- IUPAC
- 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenoxy)benzene
- English name
- decachlorodiphenyl ether
- Molecular formula
- C12Cl10O
- Molecular weight
- 514.66
Names & synonyms
DECACHLORODIPHENYL ETHER31710-30-20RV1E78V2DDTXSID80185607RefChem:131145DTXCID801080981,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenoxy)benzeneBenzene, 1,1'-oxybis(2,3,4,5,6-pentachloro-Benzene, 1,1'-oxybis[2,3,4,5,6-pentachloro-UNII-0RV1E78V2D6,6'-oxybis(1,2,3,4,5-pentachlorobenzene)orb1986197
Show more names
DECACHLORODIPHENYLOXIDEDecachlorodiphenyl ether@50 μg/mL in IsooctaneBenzene, 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenoxy)-
PCDE 209SCHEMBL1157616CIPFDHFTBYJKQB-UHFFFAOYSA-NAKOS040751462Bis(2,3,4,5,6-pentachlorophenyl) ether #1,1'-Oxybis(2,3,4,5,6-pentachlorobenzene)T31281Q27237152
Database identifiers
- CAS
31710-30-2- PubChem CID
- 35876
- DTXSID
DTXSID80185607- UNII
- 0RV1E78V2D
- Nikkaji
- J567.773D
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP8.16
Physicochemical properties
- Melting point
- 216 °C · 216 °C(Solv: benzene (71-43-2))
- Boiling point
- 458.6 · 458.6±45.0 °C(Predicted)
- Density
- 1.841 · 1.841±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 7.1 · 7.1×10-5 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 0 RV1E78V2D · 0RV1E78V2D
Chemistry & industry
Applications
UsesDecachlorodiphenyl Ether is a standard for environmental testing and research. A substance for the mass spectral confirmation of chlorinated and brominated diphenylethers in human adipose tissues.
Suppliers5 total
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上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
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Compound notes
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