900810

O-IDTBR

• Synonym(s): IDTBR-O
• Empirical Formula (Hill Notation): C₇₂H₈₈N₆O₂S₈
• Molecular Weight: 1326.03
• UNSPSC Code: 12352200
• NACRES: NA.23

Properties

• description: Band gap: 1.63 eV
• Quality Segment: 100
• assay: 99%
• form: solid
• solubility: organic solvents: soluble
• orbital energy: HOMO -5.51 eV , LUMO -3.88 eV
• SMILES string: S=C(N(CC)C/1=O)SC1=C/C(C2=NSN=C23)=CC=C3C4=CC5=C(S4)C6=CC7=C(C(SC(C8=CC=C(/C=C9SC(N(CC)C\9=O)=S)C%10=NSN=C%108)=C%11)=C%11C7(CCCCCCCCC)CCCCCCCCC)C=C6C5(CCCCCCCCC)CCCCCCCCC
• InChI: 1S/C76H96N6O2S8/c1-7-13-17-21-25-29-33-41-75(42-34-30-26-22-18-14-8-2)57-47-56-58(48-55(57)69-59(75)49-61(87-69)53-39-37-51(65-67(53)79-91-77-65)45-63-71(83)81(11-5)73(85)89-63)76(43-35-31-27-23-19-15-9-3,44-36-32-28-24-20-16-10-4)60-50-62(88-70(56)60)54-
• InChI key: VUPVAPDLDBEWMY-GFPJCWIKSA-N

Description

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable