pentabromophenol

Synonyms: "2,3,4,5,6-pentabromophenol", "flammex 5BP"

Source: pentabromophenol is a component of flame retardant formulations.

Identifiers:

IUPAC Name: 2,3,4,5,6-pentabromophenol
CAS Number: 608-71-9
PubChem ID: 11852
InChiKey: SVHOVVJFOWGYJO-UHFFFAOYSA-N
Canonical SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O

Structural Properties:

Molecular Formula: C₆HBr₅O
Molecular Weight: 488.592

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 12

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

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Meerts IATM, van Zanden JJ, Luijks EAC, van Leeuwen-Bol I, Marsh G, Jakobsson E, Bergman Å,, Brouwer A. 2000. Potent competitive interactions of some brominated flame retardants and related compounds with human transthyretin in vitro. Toxicol Sci 56(1):95-104.