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906824

Sigma-Aldrich

BT-CIC

≥98%

Synonym(s):

4,4,10,10-tetrakis(4-hexylphenyl)-5,11-(2-ethylhexyloxy)-4,10-dihydrodithienyl[1,2-b:4,5b′ ]benzodithiophene-2,8-diyl)bis(2-(3-oxo-2,3-dihydroinden-5,6-dichloro-1-ylidene)malononitrile), NFA147, PCE147

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$504.00

About This Item

Empirical Formula (Hill Notation):
C110H110Cl4N4O4S4
CAS Number:
2197167-51-2
Molecular Weight:
1822.15
MDL number:
MFCD32672258
UNSPSC Code:
12352101
NACRES:
NA.23

$504.00

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Available to ship onApril 29, 2025Details

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description

Band gap: 1.4 eV
Solubility:CB and ODCB

assay

≥98%

form

solid

solubility

chloroform: soluble

orbital energy

HOMO -5.5 eV 
LUMO -4.1 eV 

SMILES string

[s]1c2c(c%10c1c%11[s]c(cc%11C%10(c%15ccc(cc%15)CCCCCC)c%14ccc(cc%14)CCCCCC)\C=C%12/C(=O)c%13c(cc(c(c%13)Cl)Cl)C/%12=C(C#N)C#N)c(c3[s]c4c(c3c2OCC(CCCC)CC)C(c7c4[s]c(c7)\C=C8\C(=O)c9c(cc(c(c9)Cl)Cl)C\8=C(C#N)C#N)(c6ccc(cc6)CCCCCC)c5ccc(cc5)CCCCCC)OCC(CCCC)C

InChI

1S/C110H110Cl4N4O4S4/c1-9-17-23-27-33-69-37-45-75(46-38-69)109(76-47-39-70(40-48-76)34-28-24-18-10-2)87-55-79(53-85-93(73(61-115)62-116)81-57-89(111)91(113)59-83(81)99(85)119)123-103(87)107-97(109)95-101(121-65-67(15-7)31-21-13-5)106-96(102(105(95)125-107

InChI key

QKGHNUQLBFDZDZ-ROMINNPJSA-N

Application

BT-CIC is a highly efficient, ultra-narrow bandgap, NIR absorbing, non-fullerene acceptor, designed to use in high performance organic photovoltaic devices.[1][2]
A recently reported tandem cell, employing BT-CIC as the non-fullerene acceptor and PCE-10 as donor for the back cell showed an PCE of 15%.[1]

Device performance:
Tandem [Front] (170 nm DTDCPB:C70 + ARC) [Back]PCE-10:BTCIC (1:1.5, 75 nm)
Jsc=13.3 ± 0.3 mA/cm2
Voc=1.59 ± 0.01 V
FF=0.71± 0.01
PCE=15.0% ± 0.3%
ARC:an antireflection coating

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Sigma-Aldrich

760137

Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione

High Efficiency Near-Infrared and Semitransparent Non-Fullerene Acceptor Organic Photovoltaic Cells.
Yongxi L, et al.
Journal of the American Chemical Society, 139(47), 17114-17119 (2017)
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Xiaozhou C, et al.
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