2-chlorophenol

Synonyms: "o-chlorophenol", "2-hydroxychlorobenzene", "2-chloro-1-hydroxybenzene", "o-chlorphenol", "septi-kleen"

Source: 2-chlorophenol is used as a disinfectant agent in antiseptics and as a pesticide.

Identifiers:

IUPAC Name: 2-chlorophenol
CAS Number: 95-57-8
PubChem ID: 7245
InChiKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)O)Cl

Structural Properties:

Molecular Formula: C6H5ClO
Molecular Weight: 128,556

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 8

Downloads

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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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


Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.
van den Berg KJ. 1990. Interaction of chlorinated phenols with thyroxine binding sites of human transthyretin, albumin and thyroid binding globulin. Chem Biol Interact 76(1):63-75.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer