Basic information
- CAS
99686-52-9- Standard SMILES
FC(F)(F)c1ccc(-c2ccc(C(F)(F)F)cc2Cl)c(Cl)c1- InChIKey
JWKTZOCSEMZILI-UHFFFAOYSA-N- Molecular formula
- C14H6Cl2F6
- Average molar mass
- 359.1 g/mol
- Monoisotopic mass
- 357.9750746
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5,5'-Bis-trifluoromethyl-2,2'-dichlorobiphenyl
- IUPAC
- 2-chloro-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
- English name
- 5,5'-Bis-trifluoromethyl-2,2'-dichlorobiphenyl
- Molecular formula
- C14H6Cl2F6
- Molecular weight
- 359.09
Names & synonyms
5,5'-Bis-trifluoromethyl-2,2'-dichlorobiphenyl99686-52-9DTXSID00244200RefChem:101005DTXCID601666915,5'CF3-2,2'PCB2,2'-Dichloro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl2-chloro-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzeneSCHEMBL19785361JWKTZOCSEMZILI-UHFFFAOYSA-N1,1'-Biphenyl, 2,2'-dichloro-5,5'-bis(trifluoromethyl)-2,2'-Dichloro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl
Database identifiers
- CAS
99686-52-9- PubChem CID
- 57528
- DTXSID
DTXSID00244200
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 311.938 · 311.938±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…