3,3',4,4'-tetrabromobiphenyl

Synonyms: "1,1'-biphenyl, 3,3',4,4'-tetrabromo-", "1,2-dibromo-4-(3,4-dibromophenyl)benzene"

Source: 3,3',4,4'-tetrabromobiphenyl is a minor component of commercial polybrominated biphenyl (PBB) mixture fireMaster BP-6

Identifiers:

IUPAC Name: 1,2-dibromo-4-(3,4-dibromophenyl)benzene
CAS Number: 77102-82-0
PubChem ID: 107953
InChiKey: BVGDXTYHVRFEQZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C12H6Br4
Molecular Weight: 469,792

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 16

Downloads

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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

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


Hornung MW, Zabel EW, Peterson RE. 1996. Toxic equivalency factors of polybrominated dibenzo-p-dioxin, dibenzofuran, biphenyl, and polyhalogenated diphenyl ether congeners based on rainbow trout early life stage mortality. Toxicol Appl Pharmacol 140(2):227-234.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer