Basic information
- CAS
71585-40-5- Standard SMILES
Clc1ccc(Oc2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
BLBURLWSCHSPIS-UHFFFAOYSA-N- Molecular formula
- C12H3Cl7O
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 407.800359
Names & identifiers
- Preferred name
- 2,2',3,3',4,4',5-Heptachlorodiphenyl ether
- IUPAC
- 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenoxy)benzene
Names & synonyms
2,2',3,3',4,4',5-Heptachlorodiphenyl ether71585-40-524G0O69UDWUNII-24G0O69UDW1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenoxy)benzeneBenzene, 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenoxy)-1,2,3,4-Tetrachloro-5-(2,3,4-trichlorophenxoy)benzeneHEPTACHLORODIPHENYL ETHERPCDE 170DTXSID108770082,2',3,3',4,4',5-Heptachloro-diPh etherQ27253850
Show more names
Benzene, 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenoxy)-; 1,2,3,4-Tetrachloro-5-(2,3,4-trichlorophenoxy)benzene; 2,2',3,3',4,4',5-Heptachlorodiphenyl ether; PCDE 170; 2,2',3,3',4,4',5-HeptaCDE
Database identifiers
- CAS
71585-40-5- PubChem CID
- 92385
- DTXSID
DTXSID10877008- UNII
- 24G0O69UDW
- Nikkaji
- J772.331H
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP7.28
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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