684457

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

>99.9%

• Sinónimos: 3′H-Cyclopropa[1,9] [5,6]fullerene-C₆₀-Ih-3′-butanoic acid 3′-phenyl methyl ester, [60]PCBM
• Fórmula empírica (notación de Hill): C₇₂H₁₄O₂
• Número de CAS: 160848-22-6
• Peso molecular: 910.88
• Número MDL: MFCD07784544
• Código UNSPSC: 12352103
• ID de la sustancia en PubChem: 24885806
• NACRES: NA.23

Propiedades

• descripción: functionalized fullerene
• Nivel de calidad: 100
• Ensayo: >99.9%
• Formulario: solid
• solubilidad: chlorobenzene: soluble; organic solvents: soluble; toluene: soluble
• Energía orbital: HOMO 6.1 eV ; LUMO 3.7 eV
• propiedades de los semiconductores: N-type (mobility=0.21 cm²/V·s)
• cadena SMILES: 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
• Clave InChI: MCEWYIDBDVPMES-UHFFFAOYSA-N

Descripción

Descripción general

[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.

Aplicación

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

[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.

Información de seguridad

• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): Not applicable
• Punto de inflamabilidad (°C): Not applicable
• Equipo de protección personal: Eyeshields, Gloves, type N95 (US)