2,4,4',6-Tetrachlorodiphenyl ether
Basic information
- CAS
63553-30-0- Standard SMILES
Clc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1- InChIKey
YCWRSOTXXJYCKF-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O
- Average molar mass
- 308 g/mol
- Monoisotopic mass
- 305.917276
Names & identifiers
- Preferred name
- 2,4,4',6-Tetrachlorodiphenyl ether
- IUPAC
- 1,3,5-trichloro-2-(4-chlorophenoxy)benzene
Names & synonyms
2,4,4',6-Tetrachlorodiphenyl ether6M045JT22H63553-30-0BRN 2219149PCDE 75UNII-6M045JT22H2-(4-Chlorophenoxy)-1,3,5-trichlorobenzeneDTXSID40877036Benzene, 2-(4-chlorophenoxy)-1,3,5-trichloro-TETRACHLORODIPHENYL ETHER, 2,4,4',6-RefChem:81970DTXCID101015120
Show more names
1,3,5-trichloro-2-(4-chlorophenoxy)benzeneYCWRSOTXXJYCKF-UHFFFAOYSA-NQ27265128
Database identifiers
- CAS
63553-30-0- PubChem CID
- 93345
- DTXSID
DTXSID40877036- UNII
- 6M045JT22H
- Nikkaji
- J152.833E
Properties
Computed structural properties
- XLogP
- 5.5
- 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
- 231
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.92
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Related reactions
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Compound notes
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