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:	206
	Name:	pentachlorobenzene
	Description:
	Labels:	Training
	CAS:	608-93-5
	InChi Code:	InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
3.41	experimental value
2.98	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID7024247	US EPA CompTox Dashboard