2,2',4,5,6'-Pentachlorodiphenyl ether
Basic information
- CAS
130892-67-0- Standard SMILES
Clc1cc(Cl)c(Oc2c(Cl)cccc2Cl)cc1Cl- InChIKey
BOJBTUWEQMUWHT-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 2,2',4,5,6'-Pentachlorodiphenyl ether
- IUPAC
- 1,2,4-trichloro-5-(2,6-dichlorophenoxy)benzene
Names & synonyms
1,2,4-Trichloro-5-(2,6-dichlorophenoxy)benzene2,2',4,5,6'-Pentachlorodiphenyl etherPCDE 102130892-67-0UNII-B870726PNHB870726PNHBenzene, 1,2,4-trichloro-5-(2,6-dichlorophenoxy)-DTXSID10156784RefChem:80635DTXCID4079275NS00134759Q27274492
Database identifiers
- CAS
130892-67-0- PubChem CID
- 93547
- DTXSID
DTXSID10156784- UNII
- B870726PNH
- Nikkaji
- J851.311B
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.98
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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