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

ALDRICH/684449 - >99.5%

Synonym: 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

CAS Number: 160848-22-6
Empirical Formula (Hill Notation): C72H14O2
Molecular Weight: 910.88
MDL Number: MFCD07784544
Linear Formula: C72H14O2
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-684449-100MG 100 mg
$311.00
1/EA
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45-684449-500MG 500 mg
$864.00
1/EA
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 684449-100MG
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 684449-500MG

 

assay >99.5%
description functionalized fullerene
form solid
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
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
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.
Application: Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).
Application: [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.
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.
Packaging: 100, 500 mg in glass insert
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity >99.5%
UNSPSC 12352103

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