bisphenol AF
Synonyms: "Bisphenol AF", "4,4'-(Hexafluoroisopropylidene)diphenol", "2,2-Bis(4-hydroxyphenyl)hexafluoropropane", "Hexafluorobisphenol a", "4,4'-(perfluoropropane-2,2-diyl)diphenol", "Biphenol AF", "Hexafluorodiphenylolpropane", "Hexafluoroisopropylidenebis(4-hydroxybenzene)", "Hexafluoroacetone bisphenol A", "2,2-Bis(4-hydroxyphenyl)perfluoropropane", "4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol", "2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane", "Bisphenol A Hexafluoride"
Source: Bisphenol AF (BPAF) is a newly introduced chemical structurally related to bisphenol A, which is used extensively in fluoroelastomers and polyesters.
Identifiers:
IUPAC Name: 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 1478-61-1
PubChem ID: 73864
InChiKey: ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O
Structural Properties:
Molecular Formula: C15H10F6O2
Molecular Weight: 336.23
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 8
Number of atoms different from hydrogen: 23
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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
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Evidence Supporting This Chemical as an Emerging Contaminant
Hu, J., Liu, W., Liu, H., Wu, L., & Zhang, H. (2018). Preparation and enrichment properties of magnetic dodecyl chitosan/silica composite for emerging bisphenol contaminants. Materials, 11(10), 1881.