2,3,6,7-Tetrachlorobiphenylene
Basic information
- CAS
7090-41-7- Standard SMILES
Clc1cc2c(cc1Cl)=c1cc(Cl)c(Cl)cc1=2- InChIKey
WOCSOSVVVSBRCE-UHFFFAOYSA-N- Molecular formula
- C12H4Cl4
- Average molar mass
- 290 g/mol
- Monoisotopic mass
- 287.906711
Overview
chlorinated biphenyl compound
Names & identifiers
- Preferred name
- 2,3,6,7-Tetrachlorobiphenylene
- IUPAC
- 2,3,6,7-tetrachlorobiphenylene
- English name
- 2,3,6,7-Tetrachlorobiphenylene
- Molecular formula
- C12H4Cl4
- Molecular weight
- 289.97
Names & synonyms
2,3,6,7-Tetrachlorobiphenylene7090-41-7RefChem:81421Biphenylene, 2,3,6,7-tetrachloro-DTXSID60221133AKOS004907508
Database identifiers
- CAS
7090-41-7- PubChem CID
- 81533
- DTXSID
DTXSID60221133- Nikkaji
- J866.677F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
LogP6.14
Chemistry & industry
Applications
Uses2,3,6,7-Tetrachlorobiphenylene is a standard for environmental testing and research. Study to investigate the Ah-responsiveness of 2,3,6,7 tetrachlorobiphenylene in breast cancer cells. Determination of hidden organochlorinated contaminants in environmental samples by GC-MS/MS.
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Compound notes
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