Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1976
	Name:	4,6,7-trifluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,5,7-Trifluoro-2-(trifluoromethyl)benzimidazole
	Labels:
	CAS:	89427-15-6
	InChi Code:	InChI=1S/C8H2F6N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)

Properties

M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i

Value	Source or prediction
5.02	experimental value
5.0714	Tab2.Model_14: PFC oral rat LD50 (Training set)