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684465

Sigma-Aldrich

[6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers

99%

Synonym(s):

3′H-Cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3′butanoic acid, 3′Phenyl-3′H-cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3′butanoic acid, methyl ester, [70]PCBM

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About This Item

Empirical Formula (Hill Notation):
C82H14O2
CAS Number:
609771-63-3
Molecular Weight:
1030.99
UNSPSC Code:
12352103
NACRES:
NA.23

Assay

99%

form

powder

solubility

chlorobenzene: soluble
organic solvents: soluble
toluene: soluble

Orbital energy

HOMO 6 eV 
LUMO 3.9 eV 

semiconductor properties

N-type (mobility=0.1 cm2/V·s)

SMILES string

COC(=O)CCCC2(c1ccccc1)C34c5c6ccc7c8cc9Cc%10cc%11cc%12Cc%13cc%14c%15ccc6c3c%15c%16c%17c%18c%19c(c(c57)c8c%20c9c%10c%21c%11c%22c%12c%13c(c%14%16)c%18c%22c%21c%19%20)C24%17

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General description

[6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers ([70]PCBM), is a high fullerene analog to [60]PCBM, which has an enhanced absorption of light in the visible region. It can be used in the development of electrochemical devices with a high current density.

Application

[70]PCBM and PCDTBT can be used as an acceptor and donor based fullerene derivative, which can be used in the fabrication of organic photovoltaics. It may be used with P3HT as an electron transporting material for the fabrication of solar cells with higher power efficiency.
[70]PCBM can be blended with a variety of electron donors, which include P3HT and MDMO-PPV, for the fabrication of polymeric solar cells with a high power conversion efficiency (PCE). It can also be used in the organic field effect transistor (OFET) based applications.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Analysis and modification of defective surface aggregates on PCDTBT: PCBM solar cell blends using combined Kelvin probe, conductive and bimodal atomic force microscopy.
Noh H, et al.
Beilstein Journal of Nanotechnology, 8(72), 579-579 (2017)
Regioisomer effects of (70) PCBM on film structures and photovoltaic properties of composite films with a crystalline conjugated polymer P3HT.
Umeyama T, et al.
Royal Society of Chemistry Advances, 7(72), 45697-45704 (2017)
Anthopoulos, T. Leeuw, de D. et al.
Journal of Applied Physics, 98, 54503-54503 (2005)
Wienk, M.; Kroon, J. et al.
Angewandte Chemie (International Edition in English), 115, 3493-3493 (2003)
Highly efficient organic thin-film solar cells based on poly (3-hexylthiophene) and soluble C70 fullerene derivative
Yamanari T, et al.
Japanese Journal of Applied Physics, 47(2S), 1230-1230 (2008)
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