3,4-dichlorophenol

Synonyms: "4,5-dichlorophenol"

Source: 3,4-dichlorophenol is a metabolite of the pesticide lindane.

Identifiers:

IUPAC Name: 3,4-dichlorophenol
CAS Number: 95-77-2
PubChem ID: 7258
InChiKey: WDNBURPWRNALGP-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1O)Cl)Cl

Structural Properties:

Molecular Formula: C6H4Cl2O
Molecular Weight: 163,001

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9

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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)

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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