4'-bromo-2,3,4,5-tetrachloro-1,1'-biphenyl

Synonyms: "4'-bromo-2,3,4,5-tetrachlorobiphenyl", "1-(4-bromophenyl)-2,3,4,5-tetrachlorobenzene".

Source: 4'-bromo-2,3,4,5-tetrachlorobiphenyl is a mixed bromo-chloro biphenyls, which may be generated by processing and combustion of electrical equipment and electrical components.

Identifiers:

IUPAC Name: 1-(4-bromophenyl)-2,3,4,5-tetrachlorobenzene
CAS Number: 82845-25-8
PubChem ID: 158264
InChiKey: DIWVWXQAIZHGHT-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Br

Structural Properties:

Molecular Formula: C12H5BrCl4
Molecular Weight: 370.876

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Toxicological Information

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Bandiera S, Sawyer TW, Campbell MA, Fujita T, Safe S. 1983. Competitive binding to the cytosolic 2,3,7,8-tetrachlorodibenzo-p-dioxin receptor. Effects of structure on the affinities of substituted halogenated biphenyls--a QSAR analysis. Biochem Pharmacol 32(24):3803-3813. DOI: 10.1016/0006-2952(83)90153-3. URL: https://www.sciencedirect.com/science/article/pii/0006295283901533.

External Links

2D-structure

3D-structure