10967/196 - QDB Compounds

QsarDB Repository

Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:506
Name:Benzene, 1,2-dichloro-4-isocyanato-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
386

experimental value

401.98

Eq.1: Model for diverse and pure compounds (Training set)

Links to External Resources