2,3,4,4',5-Pentachlorodiphenyl ether
Basic information
- CAS
113464-17-8- Standard SMILES
Clc1ccc(Oc2cc(Cl)c(Cl)c(Cl)c2Cl)cc1- InChIKey
WSTVMACYLXUQIM-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 2,3,4,4',5-Pentachlorodiphenyl ether
- IUPAC
- 1,2,3,4-tetrachloro-5-(4-chlorophenoxy)benzene
Names & synonyms
2,3,4,4',5-Pentachlorodiphenyl etherPCDE 1146MEA8U8RFW113464-17-81,2,3,4-tetrachloro-5-(4-chlorophenoxy)benzeneUNII-6MEA8U8RFWDTXSID80150416Benzene, 1,2,3,4-tetrachloro-5-(4-chlorophenoxy)-Q27265156
Database identifiers
- CAS
113464-17-8- PubChem CID
- 93540
- DTXSID
DTXSID80150416- UNII
- 6MEA8U8RFW
- Nikkaji
- J1.595.874J
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
- 269
Experimental & physicochemical properties
LogP6.61
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Compound notes
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