3-chlorobisphenol a

Synonyms: "3-chlorobisphenol A", "chlorobisphenol A", "2-chloro-4-(2-(4-hydroxyphenyl)propan-2-yl)phenol", "2-chloro-4,4'-isopropylidenediphenol", "2-chloro-(4,4'-isopropylidenebisphenol)", "2-chloro-4-[1-(4-hydroxyphenyl)-1-methylethyl]phenol".

Source: 3-chlorobisphenol 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-(4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 74192-35-1
PubChem ID: 20161169
InChiKey: XLRAFMYRFQJARM-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)Cl

Structural Properties:

Molecular Formula: C15H15ClO2
Molecular Weight: 262.733

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

Downloads

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

Search Similar molecules

Similarity from: % to %

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
newtab


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.

External Links

icon

2D-structure

2d_structure

3D-structure

3d_structure