794586-44-0

Name 13,6-(EPITHIOIMINO)PENTACENE-16-CARBOXYLIC ACID, 6,13-DIHYDRO-, TERT BUTYL ESTER, 15-OXIDE
CAS 794586-44-0
Molecular Formula C27H23NO3S
MDL Number MFCD11656066
Molecular Weight 441.54
MOL File 794586-44-0.mol

Chemical Properties

Melting point  >300°C
Boiling point  644.7±65.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
solubility  THF: soluble1mg/mL
form  solid
pka -3.13±0.20(Predicted)
InChI 1S/C27H23NO3S/c1-27(2,3)31-26(29)28-24-20-12-16-8-4-6-10-18(16)14-22(20)25(32(28)30)23-15-19-11-7-5-9-17(19)13-21(23)24/h4-15,24-25H,1-3H3
InChIKey VQUHUWBRYQBGLV-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)N1C2c3cc4ccccc4cc3C(c5cc6ccccc6cc25)S1=O

Safety Data

Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1

Hazard Information

Supplier

Related Products