Pigment Red 179

Pigment Red 179 Structure
Pigment Red 179 structure
Common Name Pigment Red 179
CAS Number 5521-31-3 Molecular Weight 418.400
Density 1.6±0.1 g/cm3 Boiling Point 694.8±28.0 °C at 760 mmHg
Molecular Formula C26H14N2O4 Melting Point N/A
MSDS Chinese USA Flash Point 341.1±16.4 °C
Symbol GHS07
GHS07
Signal Word Warning

Understanding ground- and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations.

J. Am. Chem. Soc. 131 , 15660-15668, (2009)

Quantum chemical protocols explaining the crystal structures and the visible light absorption properties of 3,4:9,10-perylene tetracarboxylic acid bisimide (PBI) derivates are proposed. Dispersion-corrected density functional theory has provided an intermolec...