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:	59
	Name:	1-methyl-2-nitrobenzene
	Description:
	Labels:	Training
	CAS:	88-72-2
	InChi Code:	InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.38	experimental value
0.04	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID4025791	US EPA CompTox Dashboard