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:	226
	Name:	2-methoxytetrachlorophenol
	Description:
	Labels:	Training
	CAS:	2539-17-5
	InChi Code:	InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
1.76	experimental value
1.81	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID0044155	US EPA CompTox Dashboard