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900803

ITIC-DM

Synonym(s):

IT-2M

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About This Item

Empirical Formula (Hill Notation):
C98H90N4O2S4
CAS Number:
2047352-92-9
Molecular Weight:
1484.05
MDL number:
MFCD31707675
UNSPSC Code:
12352101
NACRES:
NA.23
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description

Band gap: 2.16 eV

Quality Level

100

assay

99%

form

solid

solubility

organic solvents: soluble

orbital energy

HOMO -5.45 eV , LUMO -3.29 eV 

SMILES string

[s]1c2c([s]c(c2)\C=C%14/C(=O)c%15c(cc(c(c%15)C)C)C/%14=C(C#N)C#N)c3c1c4c(cc7c(c4)C(c%10c%11[s]c(cc%11[s]c%107)\C=C%12/C(=O)c%13c(cc(c(c%13)C)C)C/%12=C(C#N)C#N)(c9ccc(cc9)CCCCCC)c8ccc(cc8)CCCCCC)C3(c6ccc(cc6)CCCCCC)c5ccc(cc5)CCCCCC

InChI

1S/C98H90N4O2S4/c1-9-13-17-21-25-63-29-37-69(38-30-63)97(70-39-31-64(32-40-70)26-22-18-14-10-2)83-53-80-84(54-79(83)93-89(97)95-85(107-93)51-73(105-95)49-81-87(67(55-99)56-100)75-45-59(5)61(7)47-77(75)91(81)103)98(71-41-33-65(34-42-71)27-23-19-15-11-3,72-

InChI key

CJZPUZYWUPJTPK-UNAFEMLISA-N

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL4813
MKCJ9834

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Articles

Progress for High Performance Tandem Organic Solar Cells

Professor Chen (Nankai University, China) and his team explain the strategies behind their recent record-breaking organic solar cells, reaching a power conversion efficiency of 17.3%.

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

Global Trade Item Number

SKUGTIN
900803-50MG04061832939919
900803-100MG04061832939902