Basic information
- CAS
85918-33-8- Standard SMILES
Clc1cc(Cl)c(Oc2ccccc2)c(Cl)c1Cl- InChIKey
WJZPRRFFZWVZJL-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O
- Average molar mass
- 308 g/mol
- Monoisotopic mass
- 305.917276
Names & identifiers
- Preferred name
- 2,3,4,6-Tetrachlorodiphenyl ether
- IUPAC
- 1,2,3,5-tetrachloro-4-phenoxybenzene
- English name
- 2,3,4,6-Tetrachlorophenylphenyl ether
- Molecular weight
- 0
Names & synonyms
2,3,4,6-Tetrachlorodiphenyl ether1,2,3,5-tetrachloro-4-phenoxybenzeneUNII-Y2T8N94ZQQY2T8N94ZQQ85918-33-8PCDE 62DTXSID30877045WJZPRRFFZWVZJL-UHFFFAOYSA-Nbenzene, 1,2,3,5-tetrachloro-4-phenoxy-Q27294186InChI=1/C12H6Cl4O/c13-8-6-9(14)12(11(16)10(8)15)17-7-4-2-1-3-5-7/h1-62,3,4,6-Tetrachlorophenylphenyl ether
Database identifiers
- CAS
85918-33-8- PubChem CID
- 640684
- DTXSID
DTXSID30877045- UNII
- Y2T8N94ZQQ
- Nikkaji
- J152.800I
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
- 245
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Henry's Law Constant
- 9.1 · 9.1×10-3 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 2 T8N94ZQQ · Y2T8N94ZQQ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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