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684430

Sigma-Aldrich

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

>99%

Synonym(s):

1-[3-(Methoxycarbonyl)propyl]-1-phenyl-[6.6]C61, 3′H-Cyclopropa[1,9] [5,6]fullerene-C60-Ih-3′-butanoic acid 3′-phenyl methyl ester, PCBM, [60]PCBM

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About This Item

Empirical Formula (Hill Notation):
C72H14O2
CAS Number:
160848-22-6
Molecular Weight:
910.88
MDL number:
MFCD07784544
UNSPSC Code:
12352103
PubChem Substance ID:
24885803
NACRES:
NA.23

$1,270.00

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description

functionalized fullerene

Quality Level

100

Assay

>99%

form

powder

solubility

chlorobenzene: soluble
organic solvents: soluble
toluene: soluble

Orbital energy

HOMO 6.1 eV 
LUMO 3.7 eV 

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

SMILES string

COC(=O)CCCC2(c1ccccc1)[C]3=4c5c6c7c8c9c%10c(c%11c%12c3c%13c5c%14c%15c6c%16c7c%17c9c%18c%19c%10c%20c%11c%21c%12c%22c%13c%23c%14c%24c%15c%25c%16c%26c%17c%18c%27c%28c%19c%20c%29c%21c%30c%22c%23c%31c%24c%32c%25c%26c%27c%33c%28c%29c%30c%31c%32%33)[C]2=48

InChI

1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3

InChI key

MCEWYIDBDVPMES-UHFFFAOYSA-N

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General description

[6,6]-Phenyl C61 butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better diffusion in organic molecules than fullerenes(C60). It has high electron mobility which allows it to be used as an electron acceptor in major electrochemical applications.[1][2]

Application

Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).
[60]PCBM is an n-type semi-conductor widely used as an a electron transport material with low cost and high surface area in different energy based applications like organic photovoltaics (OPVs),[3][4] perovskite solar cells (PSCs),[5][6] organic field effect transistors (OFETs)[7][8] and photodetectors[9].

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
MKCW1200
MKCW4836
WXBF4689V
MKCT1839
MKCR4831

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Fullerene-C60

First-principles investigation of organic photovoltaic materials C 60, C 70,(C 60) PCBM, and bis-(C 60) PCBM using a many-body G 0 W 0-Lanczos approach.
Qian X, et al.
Physical Review. B, Condensed Matter and Materials Physics, 91(24), 245105-245105 (2015)
Field-effect transistor structures on the basis of poly (3-hexylthiophene), fullerene derivatives (60) PCBM,(70) PCBM, and nickel nanoparticles.
Aleshin N, et al.
Physics of the Solid State, 58(9), 1882-1890 (2016)
Independent control of open-circuit voltage of organic solar cells by changing film thickness of MoO3 buffer layer
Kinoshita, Y.; Takenaka, R.; Murata, H.
Applied Physics Letters, 92, 243309-243309 (2008)
Improving the photo current of the (60) PCBM/P3HT photodetector device by using wavelength-matched photonic crystals.
Li S, et al.
Journal of Material Chemistry C, 2(8), 1500-1504 (2014)
Efficient and highly air stable planar inverted Perovskite solar cells with reduced Graphene oxide doped PCBM electron transporting layer.
Kakavelakis G, et al.
Advanced Energy Materials, 7(7), 1602120-1602120 (2017)
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