2,2',3,4',5,6-Hexachlorodiphenyl ether
Basic information
- CAS
116995-18-7- Standard SMILES
Clc1ccc(Oc2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1- InChIKey
DIBYIHMYEPMGKC-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,2',3,4',5,6-Hexachlorodiphenyl ether
- IUPAC
- 1,2,4,5-tetrachloro-3-(2,4-dichlorophenoxy)benzene
Names & synonyms
1,2,4,5-tetrachloro-3-(2,4-dichlorophenoxy)benzene116995-18-72,2',3,4',5,6-Hexachlorodiphenyl etherUNII-SV131X1K0APCDE 147SV131X1K0ADTXSID30151650RefChem:80574DTXCID9074141Q27289415
Database identifiers
- CAS
116995-18-7- PubChem CID
- 189459
- DTXSID
DTXSID30151650- UNII
- SV131X1K0A
- Nikkaji
- J584.341C
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
- 290
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.76
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Compound notes
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