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:	223
	Name:	3-chlorobiphenyl
	Description:	(PCB 3)
	Labels:	Training
	CAS:	2051-61-8
	InChi Code:	InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.47	experimental value
1.66	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID1040299	US EPA CompTox Dashboard