2,2',4,4',5,5'-hexabromobiphenyl

Synonyms: "2,4,5,2',4',5'-hexabromobiphenyl", "2,2',4,4',5,5'-hexabromo-1,1'-biphenyl"

Source: 2,2',4,4',5,5'-hexabromobiphenyl 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.

Identifiers:

IUPAC Name: 1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene
CAS Number: 59080-40-9
PubChem ID: 42948
InChiKey: HMBBJSKXDBUNNT-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)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

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

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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.