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:	197
	Name:	2-methyl-4,6-dinitrophenol
	Description:
	Labels:	Training
	CAS:	534-52-1
	InChi Code:	InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.18	experimental value
0.07	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID1022053	US EPA CompTox Dashboard