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

Name: [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers
SKU: ACM609771633
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Catalog NumberACM609771633

CAS Number609771-63-3

Category3D Printing Materials; Carbon Nanomaterials; Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials

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

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

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.

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

Complexity

4760

Covalently-Bonded Unit Count

Exact Mass

1030.09938g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass