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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

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Quality Level

100

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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This Item
684457684430684449
[6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers 99%

Sigma-Aldrich

684465

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

[6,6]-Phenyl C61 butyric acid methyl ester >99.5%

Sigma-Aldrich

684457

[6,6]-Phenyl C61 butyric acid methyl ester

[6,6]-Phenyl C61 butyric acid methyl ester >99%

Sigma-Aldrich

684430

[6,6]-Phenyl C61 butyric acid methyl ester

[6,6]-Phenyl C61 butyric acid methyl ester ≥99%

Sigma-Aldrich

684449

[6,6]-Phenyl C61 butyric acid methyl ester

semiconductor properties

N-type (mobility=0.1 cm2/V·s)

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

assay

99%

assay

>99.9%

assay

>99%

assay

≥99%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

form

powder

form

solid

form

powder

form

solid

solubility

chlorobenzene: soluble

solubility

chlorobenzene: soluble, organic solvents: soluble, toluene: soluble

solubility

chlorobenzene: soluble, organic solvents: soluble, toluene: soluble

solubility

-

orbital energy

HOMO 6 eV 

orbital energy

HOMO 6.1 eV , LUMO 3.7 eV 

orbital energy

HOMO 6.1 eV , LUMO 3.7 eV 

orbital energy

HOMO 6.1 eV , LUMO 3.7 eV 

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.[1][2]

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.[3] It may be used with P3HT as an electron transporting material for the fabrication of solar cells with higher power efficiency.[4]
[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).[5][6][7] It can also be used in the organic field effect transistor (OFET) based applications.[8]

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

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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)
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)
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)
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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