Pcde 153
Basic information
- CAS
71859-30-8- Standard SMILES
Clc1cc(Cl)c(Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl- InChIKey
PECXRRMHOQBOIE-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- Pcde 153
- IUPAC
- 1,2,4-trichloro-5-(2,4,5-trichlorophenoxy)benzene
- English name
- 2,2',4,4',5,5'-hexachlorodiphenyl ether
- Molecular weight
- 0
Names & synonyms
2,2',4,4',5,5'-HEXACHLORODIPHENYL ETHERPCDE 15371859-30-8PPN138510JDTXSID80222127RefChem:806162,2-HCDEDTXCID80144618Benzene, 1,1'-oxybis(2,4,5-trichloro)-1,1'-Oxybis(2,4,5-trichlorobenzene)Benzene, 1,1'-oxybis(2,4,5-trichloro-Benzene, 1,1'-oxybis[2,4,5-trichloro-
Show more names
1,2,4-trichloro-5-(2,4,5-trichlorophenoxy)benzene2,2',4,4',5,5'-hexaCDEUNII-PPN138510J2,4,5-trichlorophenyl etherSCHEMBL28105594NS00134780Q27286693
Database identifiers
- CAS
71859-30-8- PubChem CID
- 51439
- DTXSID
DTXSID80222127- UNII
- PPN138510J
- Nikkaji
- J772.326A
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
- 276
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.72
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Henry's Law Constant
- 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 138510 J · PPN138510J
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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