684457

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

>99.9%

• Synonyma: 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
• Empirický vzorec (Hillův zápis): C₇₂H₁₄O₂
• Číslo CAS: 160848-22-6
• Molekulová hmotnost: 910.88
• MDL number: MFCD07784544
• UNSPSC Code: 12352103
• PubChem Substance ID: 24885806
• NACRES: NA.23

Vlastnosti

• description: functionalized fullerene
• Quality Level: 100
• assay: >99.9%
• form: solid
• solubility: chlorobenzene: soluble; organic solvents: soluble; toluene: soluble
• 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

Popis

General description

[6,6]-Phenyl C₆₁ butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better solubility in organic solvents than fullerenes(C₆₀). It has high electron mobility which enables its function as an electron acceptor in electrochemical applications.

Application

[60]PCBM is an n-type semi-conductor widely used as an electron transport material with low cost and high surface area in different energy based applications like organic photovoltaics (OPVs), perovskite solar cells (PSCs), field effect transistors (FETs) and photodetectors.

Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).

Bezpečnostní informace

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)