Basic information Safety Related Supplier
13,6-(Epithioimino)pentacene-16-carboxylic acid, 6,13-dihydro-, tert butyl ester, 15-oxide Structure

13,6-(Epithioimino)pentacene-16-carboxylic acid, 6,13-dihydro-, tert butyl ester, 15-oxide

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
pka -3.13±0.20(Predicted)
form  solid
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 Information

Hazard Codes  N
Risk Statements  50/53
Safety Statements  60-61
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1

Usage And Synthesis

13,6-(Epithioimino)pentacene-16-carboxylic acid, 6,13-dihydro-, tert butyl ester, 15-oxide Supplier

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