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684457

Sigma-Aldrich

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

>99.9%

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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
Empirical Formula (Hill Notation):
C72H14O2
CAS Number:
Molecular Weight:
910.88
MDL number:
PubChem Substance ID:
NACRES:
NA.23

description

functionalized fullerene

Quality Level

Assay

>99.9%

form

solid

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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This Item
684449684430684465
form

solid

form

solid

form

powder

form

powder

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)

semiconductor properties

N-type (mobility=0.1 cm2/V·s)

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

description

functionalized fullerene

description

functionalized fullerene

description

functionalized fullerene

description

-

solubility

chlorobenzene: soluble

solubility

-

solubility

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

solubility

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

General description

[6,6]-Phenyl C61 butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better solubility in organic solvents than fullerenes(C60). It has high electron mobility which enables its function as an electron acceptor in electrochemical applications.

Application

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

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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(60) PCBM single crystals: remarkably enhanced band-like charge transport, broadband UV-visible-NIR photo-responsivity and improved long-term air-stability.
Zhao X, et al.
Journal of Material Chemistry C, 6(20), 5489-5496 (2018)
Enhancement of organic photovoltaic device performance via P3HT: PCBM solution heat treatment.
Otieno F, et al.
Thin Solid Films, 625(24), 62-69 (2017)
Organic Single-Crystalline Donor-Acceptor Heterojunctions with Ambipolar Band-Like Charge Transport for Photovoltaics.
Zhao X, et al.
Advanced Materials Interfaces, 530(24), 1800336-1800336 (2018)
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)
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)

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