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

Catalog Number

ACM609771633

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