chlorthal-dimethyl

Synonyms: "chlorthal-dimethyl", "dacthal", "dimethyl tetrachloroterephthalate", "Dacthalor", "Fatal", "Chlorthal-methyl", "Tetral", "Tetrachloroterephthalic acid dimethyl ester", "Dimethyl 2,3,5,6-tetrachloroterephthalate", "DAC 4", "Chlorthal dimethyl ester", "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate".

Source: Chlorthal-dimethyl is a pre-emergent herbicide used to control broadleaf weeds and grasses.

Identifiers:

IUPAC Name: dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
CAS Number: 1861-32-1
PubChem ID: 2943
InChiKey: NPOJQCVWMSKXDN-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl

Structural Properties:

Molecular Formula: C₁₀H₆Cl₄O₄
Molecular Weight: 331.954

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Hurley PM, Hill RN, Whiting RJ. 1998. Mode of carcinogenic action of pesticides inducing thyroid follicular cell tumors in rodents [review]. Environ Health Perspect 106(8):437-445. DOI: 10.2307/3434175 . URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1533205/.