polybrominated biphenyls

Synonyms: "2,3,3',4,4',5'-hexabromo-1,1'-biphenyl", "firemaster BP 6", "PBB's"

Source: 1,2,3-tribromo-4-(3,4,5-tribromophenyl)benzene is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are man-made chemicals that were used as fire retardants in plastics that were used in a variety of consumer products.


IUPAC Name: 1,2,3-tribromo-4-(3,4,5-tribromophenyl)benzene
CAS Number: 59536-65-1 (Firemaster BP-6)
PubChem ID: 158629
Canonical SMILES: C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)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.
Gupta BN, McConnell EE, Goldstein JA, Harris MW, Moore JA. 1983. Effects of a polybrominated biphenyl mixture in the rat and mouse. I. Six-month exposure. Toxicol Appl Pharmacol 68(1):1-18.
Harris SJ, Cecil HC, Bitman J. 1978. Embryotoxic effects of polybrominated biphenyls (PBB) in rats. Environ Health Perspect 23:295-300.

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