Synonyms: "3,3',4,4',5,5'-hexabromo-1,1'-biphenyl", "1,1'-biphenyl, 3,3',4,4',5,5'-hexabromo-", "1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene"

Source: 3,3',4,4',5,5'-hexabromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn.


IUPAC Name: 1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene
CAS Number: 60044-26-0
PubChem ID: 104942
Canonical SMILES: C1=C(C=C(C(=C1Br)Br)Br)C2=CC(=C(C(=C2)Br)Br)Br

Structural Properties:

Molecular Formula: C12H4Br6
Molecular Weight: 627,584

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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

Akoso BT, Sleight SD, Nachreiner RF, Aust SD. 1982. Effects of purified polybrominated biphenyl congeners on the thyroid and pituitary glands in rats. Journal of the American College of Toxicology 1(3):23-36.
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.

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