3,4,5,6-Tetrabromo-o-cresol

Synonyms: 3,4,5,6-Tetrabromo-o-cresol, "2,3,4,5-Tetrabromo-6-methylphenol", "tetrabromo-o-cresol", "Satinasept", "Desderman", "Remanol", "Deodorant Richter/K", "UNII-76L0Y0P4RG", "3,4,5,6-Tetrabromo-2-methylphenol", "2-Methyl-3,4,5,6-tetrabromophenol", "3,5,6-Tetrabromo-o-cresol".

Source: 3,4,5,6-Tetrabromo-o-cresol is a brominated phenolic used as an antiseptic and fungicide.

Identifiers:

IUPAC Name: 2,3,4,5-tetrabromo-6-methylphenol
CAS Number: 576-55-6
PubChem ID: 11336
InChiKey: GGIDUULRWQOXLR-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=C(C(=C1Br)Br)Br)Br)O

Structural Properties:

Molecular Formula: C₇H₄Br₄O
Molecular Weight: 423.72

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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