4-chlorophenol

Synonyms: "p-chlorophenol", "parachlorophenol", "4-hydroxychlorobenzene", "4-monochlorophenol"

Source: 4-chlorophenol is a starting material for making 2-benzyl-4-chlorophenol, a germicide.

Identifiers:

IUPAC Name: 4-chlorophenol
CAS Number: 106-48-9
PubChem ID: 4684
InChiKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1O)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

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2D structure (.sdf)
3D structure (.sdf)
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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

ITER (International Toxicity Estimates for Risk)

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


Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.

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Keywords


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