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Merck

684430

[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
NACRES:
NA.23
PubChem Substance ID:
24885803
UNSPSC Code:
12352103
MDL number:
MFCD07784544

Key Documents

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Quality Level

100

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

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 key

MCEWYIDBDVPMES-UHFFFAOYSA-N

description

functionalized fullerene

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)

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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.

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), perovskite solar cells (PSCs), organic field effect transistors (OFETs) and photodetectors.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF6126V
MKCW1200
MKCW4836
WXBF4689V
MKCT1839

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Stability enhancement of P3HT: PCBM polymer solar cells using thermally evaporated MoO3 anode buffer layer.
Ameen MY, et al.
Physica B: Condensed Matter, 530(24), 201-207 (2018)
(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)
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)
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)
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