Basic information
- CAS
106220-83-1- Standard SMILES
Clc1ccc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1- InChIKey
BIWCEXHDIQZFHI-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,2',4,4',5,6-Hexachlorodiphenyl ether
- IUPAC
- 1,2,3,5-tetrachloro-4-(2,4-dichlorophenoxy)benzene
- English name
- 2,2',4,4',5,6-hexachlorodiphenyl ether
- Molecular weight
- 0
Names & synonyms
CDE2106220-83-13TR2SYQ8N02,2',4,4',5,6-Hexachlorodiphenyl etherDTXSID40147549RefChem:908467DTXCID30700402,2',3,4,4',6-Hexachlorodiphenyl etherUNII-3TR2SYQ8N01,2,3,5-tetrachloro-4-(2,4-dichlorophenoxy)benzenePCDE 139SCHEMBL29370878
Show more names
Q27258018Benzene, 1,2,3,5-tetrachloro-4-(2,4-dichlorophenoxy)-
Database identifiers
- CAS
106220-83-1- PubChem CID
- 86260
- DTXSID
DTXSID40147549- UNII
- 3TR2SYQ8N0
- Nikkaji
- J1.595.420E
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.84
Physicochemical properties
- Henry's Law Constant
- 9.8 · 9.8×10-3 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 3 TR2SYQ8N0 · 3TR2SYQ8N0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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