4,4'-Dihydroxybenzophenone
Synonyms: bis(4-hydroxyphenyl)methanone, "HBP (ketone)", "Bis(4-hydroxyphenyl) ketone", "4,4'-dihydoxy-benzophenone", "Bis(p-hydroxy)benzophenone", "4,4'-Dihydroxydiphenyl ketone", "p,p'-Dihydroxybenzophenone", "4,4'-Dihydoxybenzophenone", "4-(4-hydroxybenzoyl)phenol", "4,4'-dihydroxy benzophenone"
Source: 4,4'-dihydroxybenzophenone is used as an intermediate for medicines, dyes, pesticides, ultraviolet absorbers, etc.
Identifiers:
IUPAC Name: bis(4-hydroxyphenyl)methanone
CAS Number: 611-99-4
PubChem ID: 69150
InChiKey: RXNYJUSEXLAVNQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
Structural Properties:
Molecular Formula: C13H10O3
Molecular Weight: 214,220
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16
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Evidence Supporting This Chemical as an Emerging Contaminant
Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.
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