tetrachlorobenzyltoluene

Synonyms: "dichloro[(dichlorophenyl)methyl]methylbenzene"

Source: tetrachlorobenzyltoluene is a PCB (Polychlorinated biphenyls) substitute, which are mostly used in dielectric and coolant fluids in electronic devices.

Identifiers:

IUPAC Name: 1,2-dichloro-3-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CAS Number: 76253-60-6 / 111483-93-3
PubChem ID: 14252255
InChiKey: VFDKJOGFZHCXDA-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=C(C=C1)Cl)Cl)CC2=C(C(=CC=C2)Cl)Cl

Structural Properties:

Molecular Formula: C₁₄H₁₀Cl₄
Molecular Weight: 320.041

Pharmacophore Features:

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

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

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

Murk AJ, van den Berg JHJ, Koeman JH, Brouwer A. 1991. The toxicity of tetrachlorobenzyltoluenes (Ugilec 141) and polychlorobiphenyls (Aroclor 1254 and PCB-77) compared in Ah-responsive and Ah-nonresponsive mice. Environ Pollut 72(1):57-67.