3,3'-dichlorobisphenol a
Synonyms: "2,2-bis(3-chloro-4-hydroxyphenyl)propane", "2,2-bis(4-hydroxy-3-chlorophenyl)propane","4,4'-Isopropylidenebis(2-chlorophenol)", "4,4'-isopropylidenebis(o-chlorophenol)", "2,2-di(4-hydroxy-3-chlorophenyl)propane", "trichlorobisphenol A".
Source: 3,3'-dichlorobisphenol a is one of the halogenated derivatives of bisphenol a (BPA). BPA present in treated waters is easily chlorinated by the residual chlorine released from disinfectant or bleaching agents, leading to the production of chlorinated BPA.
Identifiers:
IUPAC Name: 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 79-98-1
PubChem ID: 66238
InChiKey: XBQRPFBBTWXIFI-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl
Structural Properties:
Molecular Formula: C15H14Cl2O2
Molecular Weight: 297.175
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19
Downloads
2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
Search Similar molecules
Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
Mutou Y, Ibuki Y, Terao Y, Kojima S, Goto R. 2006. Change of estrogenic activity and release of chloride ion in chlorinated bisphenol A after exposure to ultraviolet B. Biol Pharm Bull 29(10):2116-2119. DOI: 10.1248/bpb.29.2116. URL: https://www.jstage.jst.go.jp/article/bpb/29/10/29_10_2116/_article.