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Safety Information

900799

Sigma-Aldrich

ITIC

Synonym(s):

2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrodithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]

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About This Item

Empirical Formula (Hill Notation):
C94H82N4O2S4
CAS Number:
1664293-06-4
Molecular Weight:
1427.94
UNSPSC Code:
12352200
NACRES:
NA.23

description

Band gap:1.61eV

Quality Level

100

Assay

99%

form

solid

Orbital energy

HOMO -5.5 eV 
LUMO -3.89 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(CCCCCC)C=C6)(C7=CC=C(CCCCCC)C=C7)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(CCCCCC)C=C%14)C%15=CC=C(CCCCCC)C=C%15)=C(C#N)C#N

Related Categories

Application

ITIC is a specific non-fullerene acceptor (NFA) molecule used in Organic Photovoltaics(OPVs). ITIC offers potential advantages over traditional fullerene-based acceptors such as include higher Voc (open-circuit voltage), improved stability and broader absorption properties.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

900799-BULK:
900799-100MG:4548174014899
900799-50MG:4548174014905
900799-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ5294
MKCP1077
MKCK9277
MKCJ2839
MKCJ8883

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Wenchao Zhao et al.
Advanced materials (Deerfield Beach, Fla.), 28(23), 4734-4739 (2016-04-12)
A nonfullerene-based polymer solar cell (PSC) that significantly outperforms fullerene-based PSCs with respect to the power-conversion efficiency is demonstrated for the first time. An efficiency of >11%, which is among the top values in the PSC field, and excellent thermal
Yuze Lin et al.
Advanced materials (Deerfield Beach, Fla.), 27(7), 1170-1174 (2015-01-13)
A novel non-fullerene electron acceptor (ITIC) that overcomes some of the shortcomings of fullerene acceptors, for example, weak absorption in the visible spectral region and limited energy-level variability, is designed and synthesized. Fullerene-free polymer solar cells (PSCs) based on the
Yuze Lin et al.
Journal of the American Chemical Society, 138(14), 4955-4961 (2016-03-26)
We develop an efficient fused-ring electron acceptor (ITIC-Th) based on indacenodithieno[3,2-b]thiophene core and thienyl side-chains for organic solar cells (OSCs). Relative to its counterpart with phenyl side-chains (ITIC), ITIC-Th shows lower energy levels (ITIC-Th: HOMO = -5.66 eV, LUMO =

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