chloranil

Synonyms: "p-chloranil", "tetrachloro-p-benzoquinone", "spergon", "tetrachloro-1,4-benzoquinone", "coversan", "khloranil", "psorisan", "reranil"

Source: chloranil is used as a basic feedstock for certain dyes and pigments and in the production of rubber tires.

Identifiers:

IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
CAS Number: 118-75-2
PubChem ID: 8371
InChiKey: UGNWTBMOAKPKBL-UHFFFAOYSA-N
Canonical SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C6Cl4O2
Molecular Weight: 245,875

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

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


Anderson RJ, Prahlad KV. 1976. The deleterious effects of fungicides and herbicides on Xenopus laevis embryos. Arch Environ Contam Toxicol 4(3):312-323.

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