Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

	ID:	79
	Name:	1,2,4,5-tetrachlorobenzene
	Description:
	Labels:	Training
	CAS:	95-94-3
	InChi Code:	InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.97	experimental value
2.33	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID7024320	US EPA CompTox Dashboard