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684449

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:
24885805
NACRES:
NA.23
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description

functionalized fullerene

Quality Level

100

Assay

≥99%

form

solid

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 a high electron mobility which allows it to be used as an electron acceptor in major electrochemical applications. [1][2]
[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

(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,[3][4] perovskite solar cells,[5][6] field effect transistors[7][8] and photodetectors.[9]
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,[3][4] perovskite solar cells,[5][6] field effect transistors,[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
MKCW7362
MKCW5498
WXBF4613V
MKCT2660
MKCS9314

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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)
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)
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)
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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Questions

1–3 of 3 Questions  

  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  3. Please let me know its absorbance maxima wavelength.

    1 answer

    1. 684449 is a [6,6]-Phenyl C61 butyric acid methyl ester. Unfortunately, the max absorbance wavelength is not tested.

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