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Merck

684465

[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
MDL number:
MFCD09842750
UNSPSC Code:
12352103
NACRES:
NA.23

Key Documents

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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

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)

Quality Level

100

Related Categories

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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.

684465-100MG: + 684465-500MG: + 684465-VAR: + 684465-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF6683V
WXBF4695V
MKCT9592
MKCR4830
MKCL3062

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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)
A planar copolymer for high efficiency polymer solar cells
Qin R, et al.
Journal of the American Chemical Society, 131(41), 14612-14613 (2009)
Low-bandgap poly (thiophene-phenylene-thiophene) derivatives with broaden absorption spectra for use in high-performance bulk-heterojunction polymer solar cells
Chen C, et al.
Journal of the American Chemical Society, 130(38), 12828-12833 (2008)
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)
Wienk, M.; Kroon, J. et al.
Angewandte Chemie (International Edition in English), 115, 3493-3493 (2003)
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