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:	82
	Name:	1,2,3-trichloropropane
	Description:
	Labels:	Training
	CAS:	96-18-4
	InChi Code:	InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.33	experimental value
0.41	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID9021390	US EPA CompTox Dashboard