2-bromodibenzo-p-dioxin

Synonyms: "2-bromo-dibenzo-dioxin", "2-bromo-dibenzo[1,4]dioxine"

Source: 2-bromodibenzo-p-dioxin is a byproduct of polybrominated dibenzo-p-dioxins (PBDDs).

Identifiers:

IUPAC Name: 2-bromodibenzo-p-dioxin
CAS Number: 105906-36-3
PubChem ID: 60059
InChiKey: GSUCEGNAROQSGU-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)Br

Structural Properties:

Molecular Formula: C₁₂H₇BrO₂
Molecular Weight: 263.087

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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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

Mason G, Zacharewski T, Denomme MA, Safe L, Safe S. 1987. Polybrominated dibenzo-p-dioxins and related compounds: Quantitative in vivo and in vitro structure-activity relationships. Toxicology 44(3):245-255, DOI: 10.1016/0300-483X(87)90027-8.