2,3,5,6-Tetrabromo-p-xylene

Synonyms: 1,2,4,5-Tetrabromo-3,6-dimethylbenzene, "Tetrabromo-p-xylene", "p-TBX", "Benzene, 1,2,4,5-tetrabromo-3,6-dimethyl-", "Tetrabromo-p-xylen", "1,4-Dimethyltetrabromobenzene", "Tetrabromo-p-xylen [Czech]", "1,4-Bis(dibrommethyl)benzen"

Source: 2,3,5,6-Tetrabromo-p-xylene is a flame retardant.

Identifiers:

IUPAC Name: 1,2,4,5-tetrabromo-3,6-dimethylbenzene
CAS Number: 23488-38-2
PubChem ID: 31952
InChiKey: RXKOKVQKECXYOT-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=C(C(=C1Br)Br)C)Br)Br

Structural Properties:

Molecular Formula: C₈H₆Br₄
Molecular Weight: 421,750

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Emerging Contaminant

Marler, H., Adams, D. H., Wu, Y., Nielsen, C. K., Shen, L., Reiner, E. J., & Chen, D. (2018). Maternal transfer of flame retardants in sharks from the western North Atlantic Ocean. Environmental science & technology, 52(22), 12978-12986.

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2D-structure

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