10967/179 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Per- and Polyfluoro Toxicity (LC 50 Inhalation) Study in Rat and Mouse Using QSAR Modeling. Chem. Res. Toxicol. 2010, 23, 528–539.

Compound

ID:002418-21-5
Name:2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene
Description:The original non-IUPAC name was: 2-Butene, 2,3-dichloro-1,1,1,4,4,4-hexafluoro-, (E)-
Labels:
CAS:2418-21-5
InChi Code:InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+

Properties

pLC50mouse: Mice acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
3.582

experimental value

3.23141

Eq1: Acute inhalation toxicity in mice of perfluorinated compounds (Training set)