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:006226-25-1
Name:2,2,2-Trifluoroethyl trifluoromethanesulfonate
Description:The original non-IUPAC name was: Methanesulfonic acid, Trifluoro-, 2,2,2-trifluoroethyl ester
Labels:
CAS:6226-25-1
InChi Code:InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2

Properties

pLC50rat: Rat acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
2.4232

experimental value

3.53229

Eq2: Acute inhalation toxicity in rats of perfluorinated compounds. (Training set)

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