2,7-dibromodibenzo-p-dioxin

Synonyms: "2,7-dibromo-dibenzo[1,4]dioxine", "2,7-dibromodibenzo(b,e)(1,4)dioxin"

Source: 2,7-dibromodibenzo-p-dioxin is a brominated dibenzo-p-dioxin (PBDDs). PBDDs occur as trace (ppb) contaminants in brominated flame retardants and are produced during combustion of these chemicals, for example in municipal waste incineration and internal combustion engines.

Identifiers:

IUPAC Name: 2,7-dibromodibenzo-p-dioxin
CAS Number: 39073-07-9
PubChem ID: 38213
InChiKey: FPZRQZSGNKQNMF-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1Br)OC3=C(O2)C=C(C=C3)Br

Structural Properties:

Molecular Formula: C₁₂H₆Br₂O₂
Molecular Weight: 341.983

Pharmacophore Features:

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

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

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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.