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900947

Sigma-Aldrich

ITIC-M

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About This Item

Empirical Formula (Hill Notation):
C96H86N4O2S4
Molecular Weight:
1456.00
UNSPSC Code:
12352101

description

Band gap: 1.6 eV

Assay

≥97%

form

solid

solubility

chloroform: soluble
dichlorobenzene: soluble

Orbital energy

HOMO -5.58 eV 
LUMO -3.98 eV 

SMILES string

O=C1C2=C(C=CC=C2)C(/C1=C/C3=CC(S4)=C(S3)C5=C4C(C=C(C(C6=CC=C(C=C6)CCCCCC)(C7=CC=C(C=C7)CCCCCC)C8=C9SC%10=C8SC(/C=C%11C(C(C=CC=C%12)=C%12C/%11=O)=C(C#N)C#N)=C%10)C9=C%13)=C%13C5(C%14=CC=C(C=C%14)CCCCCC)C%15=CC=C(C=C%15)CCCCCC)=C(C#N)C#N

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Sunsun Li et al.
Advanced materials (Deerfield Beach, Fla.), 28(42), 9423-9429 (2016-09-09)
Fine energy-level modulations of small-molecule acceptors (SMAs) are realized via subtle chemical modifications on strong electron-withdrawing end-groups. The two new SMAs (IT-M and IT-DM) end-capped by methyl-modified dicycanovinylindan-1-one exhibit upshifted lowest unoccupied molecular orbital (LUMO) levels, and hence higher open-circuit

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