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: | 234 | |
|---|---|---|
| Name: | 2,3,4-trichlorobiphenyl | |
| Description: | (PCB 21) | |
| Labels: | Training | |
| CAS: | 55702-46-0 | |
| InChi Code: | InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.72 |
experimental value |
| 2.94 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0074180 | US EPA CompTox Dashboard |