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[6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers

Catalog Number
ACM609771633
Product Name
[6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers
Structure
CAS
609771-63-3
Description
[6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers ([70]PCBM), is a high fullerene analog to [60]PCBM, which has an enhanced absorption of light in the visible region. It can be used in the development of electrochemical devices with a high current density.
Synonyms
3'H-Cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3'butanoic acid,3'Phenyl-3'H-cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3'butanoic acid, methyl ester
Molecular Weight
1030.99
Molecular Formula
C82H14O2
Canonical SMILES
COC(=O)CCCC2(c1ccccc1)C34c5c6ccc7c8cc9Cc%10cc%11cc%12Cc%13cc%14c%15ccc6c3c%15c%16c%17c%18c%19c(c(c57)c8c%20c9c%10c%21c%11c%22c%12c%13c(c%14%16)c%18c%22c%21c%19%20)C24%17
InChI
InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3
InChI Key
AZSFNTBGCTUQFX-UHFFFAOYSA-N
Solubility
chlorobenzene: soluble;organic solvents: soluble;toluene: soluble
Application
[70]PCBM and PCDTBT can be used as an acceptor and donor based fullerene derivative, which can be used in the fabrication of organic photovoltaics. It may be used with P3HT as an electron transporting material for the fabrication of solar cells with higher power efficiency.
Storage
room temp
Assay
0.99
Empirical Formula (Hill Notation)
C82H14O2
NACRES
NA.23
Orbital Energy
HOMO 6 eV
Packaging
100, 500 mg in glass insert
Quality Level
100
Semiconductor Properties
N-type (mobility=0.1 cm2 /V·s)
Our products are for research use only and cannot be used for any clinical purposes.

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