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Merck
CN

684449

[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:
24885805
UNSPSC Code:
12352103
MDL number:
MFCD07784544

Key Documents

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Product Name

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

InChI key

MCEWYIDBDVPMES-UHFFFAOYSA-N

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

description

functionalized fullerene

assay

≥99%

form

solid

orbital energy

HOMO 6.1 eV 
LUMO 3.7 eV 

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

Quality Level

100

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Application

(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, perovskite solar cells, field effect transistors 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).
[60]PCBM is an n-type semi-conductor with low cost and high surface area. It is widely used as an electron transport material in various energy-based applications like organic photovoltaics, perovskite solar cells, field effect transistors, and photodetectors.

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 a high electron mobility which allows it to be used as an electron acceptor in major electrochemical applications.
[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.

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
WXBF7966V
WXBF7337V
MKCW7362
MKCW5498
WXBF4613V

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Enhancement of organic photovoltaic device performance via P3HT: PCBM solution heat treatment.
Otieno F, et al.
Thin Solid Films, 625(24), 62-69 (2017)
Perovskite-fullerene hybrid materials suppress hysteresis in planar diodes.
Xu J, et al.
Nature Communications, 6(7), 7081-7081 (2015)
(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)
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)
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)
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