Basic information
- CAS
61328-45-8- Standard SMILES
Clc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1- InChIKey
KXOJXWNARBQHNX-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O
- Average molar mass
- 308 g/mol
- Monoisotopic mass
- 305.917276
Names & identifiers
- Preferred name
- 2,4,4',5-Tetrachlorodiphenyl ether
- IUPAC
- 1,2,4-trichloro-5-(4-chlorophenoxy)benzene
Names & synonyms
2,4,4',5-TETRACHLORODIPHENYL ETHER61328-45-8BRN 2217839UNII-W7C0VP1DERW7C0VP1DER5-(4-Chlorophenoxy)-1,2,4-trichlorobenzeneBenzene, 5-(4-chlorophenoxy)-1,2,4-trichloro-PCDE 74DTXSID402102422,4,4',5-TETRACHLOROBIPHENYL ETHERTETRACHLOROBIPHENYL ETHER, 2,4,4',5-RefChem:81968
Show more names
DTXCID401327331,2,4-trichloro-5-(4-chlorophenoxy)benzeneBenzene, 1,2,4-trichloro-5-(4-chlorophenoxy)-KXOJXWNARBQHNX-UHFFFAOYSA-NMFCD00474528AKOS001483751NCGC00336319-01AB01330189-02
Database identifiers
- CAS
61328-45-8- PubChem CID
- 43604
- DTXSID
DTXSID40210242- UNII
- W7C0VP1DER
- Nikkaji
- J152.832G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.99
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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