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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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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.

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