1,1'-Biphenyl, 2,2',4,5,5'-pentachloro-4'-(methylsulfonyl)-
Basic information
- CAS
66640-61-7- Standard SMILES
CS(=O)(=O)c1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl- InChIKey
RRNFGIXWXHWJLE-UHFFFAOYSA-N- Molecular formula
- C13H7Cl5O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 401.860939
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 2,2',4,5,5'-pentachloro-4'-(methylsulfonyl)-
- IUPAC
- 1,4-dichloro-2-methylsulfonyl-5-(2,4,5-trichlorophenyl)benzene
- English name
- 4-Methylsulfonyl-2,2',4',5,5'-pentachlorobiphenyl
- Molecular formula
- C13H7Cl5O2S
- Molecular weight
- 404.52
Names & synonyms
66640-61-71,1'-Biphenyl, 2,2',4,5,5'-pentachloro-4'-(methylsulfonyl)-1,4-dichloro-2-methylsulfonyl-5-(2,4,5-trichlorophenyl)benzene2,2',4',5,5'-Pentachloro-4-methylsulfonylbiphenyl2,2',4,5,5'-Pentachloro-4'-(methylsulfonyl)-1,1'-biphenyl4-Methylsulfonyl-2,2',4',5,5'-pentachlorobiphenylDTXSID20216803RRNFGIXWXHWJLE-UHFFFAOYSA-NNS00134777Biphenyl, 2,5,2',4',5'-pentachloro, 4-methylsulfonyl1,1'-Biphenyl, 2,2',4',5,5'-pentachloro-4-methylsulfonyl2,2',4,5,5'-Pentachloro-4'-(methanesulfonyl)-1,1'-biphenyl
Show more names
4-Methylsulfonyl-2,2',4',5,5'-pentachlorobiphenyl@50 μg/ml in Isooctane
2,2',4,5,5'-Pentachloro-4'-(methylsulfonyl)-1,1'-biphenyl #
Database identifiers
- CAS
66640-61-7- PubChem CID
- 108178
- DTXSID
DTXSID20216803- Nikkaji
- J409.175B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 178 · 178-179 °C(Solv: ethanol (64-17-5))
- Boiling point
- 507.3 · 507.3±50.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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